87585-32-8 ((+)-南烛木树脂酚9'-O-葡萄糖甙,(+)-Lyoniresinol 9'-O-glucoside)

CAS号:
87585-32-8
中文名称:
(+)-南烛木树脂酚9'-O-葡萄糖甙
英文名称:
(+)-Lyoniresinol 9'-O-glucoside
分子式:
C28H38O13
分子量:
582.59352

(+)-南烛木树脂酚9'-O-葡萄糖甙(87585-32-8)名称与标识符

名称

中文别名:
(+)-南烛木树脂酚 9’-O-葡萄糖甙;(+)-南烛木树脂酚 9'-O-葡萄糖甙;(+)-南烛木树脂酚-9'-O-葡萄糖苷;(+)-南烛木树脂酚9’-O-葡萄糖甙标准品;(+)-南烛木树脂酚9'-O-葡萄糖甙标准品,对照品;(+)-南烛木树脂酚9'-O-葡萄糖甙;
英文别名:
(2R,3R,4S,5R,6R)-2-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(hydroxymethyl)-6,8-dimethoxy-tetralin-2-yl]-6-(hydroxymethyl)-2-methoxy-oxane-3,4,5-triol;(+)-Lyoniresinol 9'-O-glucoside;(2R,3R,4S,5R,6R)-2-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(hydroxymethyl)-6,8-dimethoxy-tetralin-2-yl]-6-(hy;3alpha-O-(beta-D-Glucopyranosyl)-lyoniresinol;Lyoniresinol 9'-beta-D-glucopyranoside;(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside;CS-0016086;(+)-Lyoniresinol 3alpha-O-beta-D-glucopyranoside;SMR001215805;MLS000563029;HMS2268O23;Q27135222;E80679;BDBM94838;(2R,3R,4S,5S,6R)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxy-phenyl)-6,8-dimethoxy-3-methylol-tetralin-2-yl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol;HY-N0952;CHEMBL464198;FS-9487;(2R,3R,4S,5S,6R)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;lyoniresinol glucoside;A-D-glucopyranoside;(+)-lyoniresinol 9'-O-beta-D-glucopyranoside;87585-32-8;SCHEMBL23203493;(2R,3R,4S,5S,6R)-2-[[(1S,2R,3R)-1-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-(hydroxymethyl)-6,8-dimethoxy-7-oxidanyl-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pteleifoside G;A-O-;AKOS040762638;cid_10483388;CHEBI:66606;(+)-Lyoniresinol 3;DTXSID101007668;[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl beta-D-glucopyranoside;2-{[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl] methoxy}-6-(hydroxymethyl) oxane-3,4,5-triol;(+)-Lyoniresinol 3alpha-O-beta-glucopyranoside;(7'R)-(+)-Lyoniresinol 9'-glucoside;Compound NP-000519;NCGC00180141-01;2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;BRD-A20647696-001-01-8;MEGxp0_000207;CHEBI:191569;AKOS040740148;(2R,3R,4S,5S,6R)-2-[(1S,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol;ACon1_001787;[ "" ];(2S,3R,4S)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol;3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan; (7'R,8R,8'R)-form, 3,3',5,5'-Tetra-Me ether, 9'-O-β-D-glucopyranoside;[(1R,2S,3R)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl beta-D-glucopyranoside;(2S,3R,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol;[(1R,2R,3S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl beta-D-glucopyranoside;[(1S,2S,3R)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl beta-D-glucopyranoside;ConMedNP.925;(2R,3S,4S)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol;[(1S,2R,3S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl beta-D-glucopyranoside;(+)-Lyoniresinol-3α-O-β-glucopyranoside;(2R,3S,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol;MLSMR;(-)-Lyoniresinol-3α-O-β-glucopyranoside;(-)-Lyoniresinol 3alpha-O-beta-D-glucopyranoside;(+)-Lyoniresinola9'-O-glucoside;DA-59435;(+)-lyoniresinol-3a-O-beta-glucoside;

标识符

InChIKey:
PQQRNPDHSJDAGV-HQSXISOASA-N
Inchi:
InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1
SMILES:
COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)COC4C(C(C(C(O4)CO)O)O)O

(+)-南烛木树脂酚9'-O-葡萄糖甙(87585-32-8)物化性质

实验特性

  • LogP : -0.13860
  • PSA : 196.99000
  • 沸点 : 797.2±60.0 °C at 760 mmHg
  • 蒸气压 : 0.0±2.9 mmHg at 25°C
  • 闪点 : 435.9±32.9 °C
  • 颜色与性状 : Powder
  • 密度 : 1.5±0.1 g/cm3

计算特性

  • 精确分子量 : 582.23100
  • 氢键供体数量 : 7
  • 氢键受体数量 : 13
  • 可旋转化学键数量 : 10
  • 同位素质量 : 582.23124126g/mol
  • 重原子数量 : 41
  • 复杂度 : 791
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 8
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.4
  • 拓扑分子极性表面积 : 197Ų

(+)-南烛木树脂酚9'-O-葡萄糖甙(87585-32-8)参考资料

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