Card-20(22)-enolide,3-(b-D-glucopyranosyloxy)-, (3b,5b)- (9CI) | 102492-19-3
Card-20(22)-enolide,3-(b-D-glucopyranosyloxy)-, (3b,5b)- (9CI)
102492-19-3
C29H44O8
520.65486
名称和标识符
InChIKey |
ZHVOBYWXERUHMN-UHFFFAOYSA-N |
Inchi |
InChI=1S/C29H44O8/c1-28-9-7-17(36-27-26(34)25(33)24(32)22(13-30)37-27)12-16(28)3-4-18-20-6-5-19(15-11-23(31)35-14-15)29(20,2)10-8-21(18)28/h11,16-22,24-27,30,32-34H,3-10,12-14H2,1-2H3 |
SMILES |
OCC1OC(OC2CCC3(C4CCC5(C(C6COC(=O)C=6)CCC5C4CCC3C2)C)C)C(O)C(O)C1O |
别名信息
- 英文别名 -
- Card-20(22)-enolide,3-(b-D-glucopyranosyloxy)-, (3b,5b)- (9CI)
- 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5R,6R)-3, 4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14 ,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl
- (3beta,5beta,14alpha)-3-(beta-D-glucopyranosyloxy)card-20(22)-enolide
- 14-dehydroxy-3-glucodigitoxigenin
- 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5R,6R)-3, 4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14 ,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2 -one
- DTXSID50907616
- Card-20(22)-enolide, 3-(beta-D-glucopyranosyloxy)-, (3beta,5beta)-
- 14-Dehydroxy-3-glucodigitoxigenin
- SCHEMBL11432865
- 102492-19-3
- 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5R,6R)-3, 4,5-trihydroxy-6-(hydroxymeth
- 3-[(3S,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- 3-(Hexopyranosyloxy)card-20(22)-enolide
- Dig-3
物化性质
实验特性
计算特性
精确分子量 |
520.30372 |
氢键供体数量 |
4 |
氢键受体数量 |
8 |
可旋转化学键数量 |
4 |
同位素质量 |
520.30361836g/mol |
重原子数量 |
37 |
复杂度 |
922 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
13 |
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) |
3.4 |
拓扑分子极性表面积 |
126Ų |