945619-74-9 (麦冬皂苷 D,Ophiopogonin D)

CAS号:
945619-74-9
中文名称:
麦冬皂苷 D
英文名称:
Ophiopogonin D
分子式:
C44H70O16
分子量:
855.01701593399
简介:
Ophiopogonin D 是从麦冬 (Ophiopogon japonicus) 的块茎中分离的,是一种罕见的天然存在的 C29 甾体糖苷。Ophiopogonin D 是 CYP2J3 诱导剂,其通过增加人脐静脉内皮细胞 (HUVECs) 中 CYP2J2/EETs 和 PPARα 的表达,显着抑制 Ang II 诱导的 NF-κB 核转位,IκBα 下调,细胞内 Ca2+ 过载和促炎细胞因子的激活。Ophiopogonin D 已被用于炎症和心血管疾病的相关研究。
植物源:

麦冬皂苷 D(945619-74-9)名称与标识符

名称

中文别名:
麦冬皂苷 D;麦冬皂苷;麦冬皂苷D对照品;麦冬皂苷D;
英文别名:
Ophiopogonin D;Deacetylophiopogonin C;(2S,3R,4R,5R,6S)-2-(((2R,3R,4S,5S,6R)-5-hydroxy-2-(((4R,5'R,6R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-4-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-6-yl)oxy)-6-methyl-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol;(1β,3β,25R)-3-Hydroxyspirost-5-en-1-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-6-deoxy-β-D-galactopyranoside;25(R)-Ruscogenin 1-O-[α-L-rhamnopyranosyl-(1→2)][β-D-xylopyranosyl-(1→3)]-β-D-fucopyranoside;OJV-V;[ "" ];OJV-VI;Ophiopogonin D, >=98% (HPLC);X1195;C17042;619O749;Q27151383;Diosgenin 3-O-(alpha-L-rhamnopyranosyl-(1-2))(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranoside;(1β,3β,25R)-3-Hydroxyspirost-5-en-1-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-6-deoxy-β-D-galactopyranoside (ACI);L;D;FS-9595;CS-0009054;HY-N0515;CHEBI:80883;41753-55-3;(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;OphiopogoninD;AKOS032949041;A859337;E0022;125150-67-6;DTXSID401317339;I(2)-D-gulopyranoside, I(2)-D-xylopyranosyl O-6-deoxy-I+/--L-mannopyranosyl-(1->2)-6-deoxy-1-C-[(3I(2),14I(3/4),25R)-3-hydroxyspirost-5-en-1-yl]-;Deacetylophiopogonin C,OJV-V;MFCD09970543;945619-74-9;GLXC-19108;(2S,3R,4R,5R,6S)-2-((2R,3R,4S,5S,6R)-5-hydroxy-2-((1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-14-yl)oxy-6-methyl-4-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl)oxy-6-methyloxane-3,4,5-triol;CHEMBL5266163;Lirioprolioside J;1-O-(beta-D-Xylopyranosyl-1-3(alpha-L-Rhamnopyransyl-1-2)beta-d-fucopyranosyl)-(25R)-spirost-5-en-1beta,3beta-diol;BDBM50421804;DA-66317;

标识符

MDL:
MFCD09970543
InChIKey:
FHKHGNFKBPFJCB-LYLKFOBISA-N
Inchi:
1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h7,18-21,23-41,45-52H,8-17H2,1-6H3/t18-,19+,20+,21-,23-,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42+,43+,44-/m1/s1
SMILES:
C[C@]12CC[C@@H]3[C@@]4(C(=CC[C@H]3[C@@H]1C[C@@H]1O[C@@]3(OC[C@H](C)CC3)[C@H]([C@H]21)C)C[C@@H](O)C[C@H]4O[C@@H]1O[C@H](C)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C

麦冬皂苷 D(945619-74-9)物化性质

实验特性

  • LogP : 0.85160
  • PSA : 235.68000
  • 折射率 : 1.628
  • 颜色与性状 : Powder
  • 密度 : 1.40

计算特性

  • 精确分子量 : 854.46600
  • 氢键供体数量 : 8
  • 氢键受体数量 : 16
  • 可旋转化学键数量 : 6
  • 同位素质量 : 854.466
  • 重原子数量 : 60
  • 复杂度 : 1590
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 26
  • 不确定原子立构中心数量 : 0
  • 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) : 1
  • 拓扑分子极性表面积 : 236
  • 分子量 : 855.0

麦冬皂苷 D(945619-74-9)安全信息