75917-15-6 (((9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl 4,6-O-(1-methylethylidene)-beta-D-glucopyranoside)

CAS号:
75917-15-6
英文名称:
(9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl 4,6-O-(1-methylethylidene)-beta-D-glucopyranoside
分子式:
C24H26O10
分子量:
474.457248210907

(9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl 4,6-O-(1-methylethylidene)-beta-D-glucopyranoside(75917-15-6)名称与标识符

名称

英文别名:
(9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl 4,6-O-(1-methylethylidene)-beta-D-glucopyranoside;9(10H)-Anthracenone, 1,8-dihydroxy-3-(hydroxymethyl)-10-((4,6-O-(1-methylethylidene)-beta-D-glucopyranosyl)oxy)-, (R)-;(10R)-10-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-1,8-dihydroxy-3-(hydroxymethyl)-10H-anthracen-9-one;4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl 4,6-O-(1-methylethylidene)hexopyranoside;DTXSID30997292;75917-15-6;

标识符

InChIKey:
FSVAYEAGGSUWII-WQAPEFCFSA-N
Inchi:
1S/C24H26O10/c1-24(2)31-9-15-22(34-24)19(29)20(30)23(32-15)33-21-11-4-3-5-13(26)16(11)18(28)17-12(21)6-10(8-25)7-14(17)27/h3-7,15,19-23,25-27,29-30H,8-9H2,1-2H3/t15-,19-,20-,21-,22-,23+/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@H]2[C@H]1COC(C)(C)O2)O)O)O[C@@H]1C2C=CC=C(C=2C(C2C(=CC(CO)=CC1=2)O)=O)O

(9R)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl 4,6-O-(1-methylethylidene)-beta-D-glucopyranoside(75917-15-6)物化性质

计算特性

  • 精确分子量 : 474.15259702g/mol
  • 氢键供体数量 : 5
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 3
  • 同位素质量 : 474.15259702g/mol
  • 重原子数量 : 34
  • 复杂度 : 760
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 6
  • 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) : 0.6
  • 拓扑分子极性表面积 : 155Ų