基本信息
- 标准SMILES
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O- InChIKey
ZOOKJZBDACIZLI-UHFFFAOYSA-N- 分子式
- C70H114O34
- 平均分子量
- 1,499.6 g/mol
概述
Saponin D, hupehensis has been reported in Anemone hupehensis with data available.
名称与标识
- 首选名称
- Saponin D, hupehensis
- IUPAC
- [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[3-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- 英文名
- saponin D, hupehensis
- 分子式
- C70H114O34
- 分子量
- 1499.63
名称与别名
Saponin D, hupehensisHupehensis saponin D152464-75-0RefChem:181261(6-((3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxymethyl)-3,4,5-trihydroxyoxan-2-yl) 10-(3-(4-(3,5-dihydroxy-4-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate3-O-beta-D-glucopyranosyl(1-->3)-beta-D-ribopyranosyl(1-->3)-alpha-L-rhamnopyranosyl(1-->2)-alpha-L-arabinopyranosyl-oleanolic acid-28-O-alpha-L-rhamnopyranosyl(1-->4)-beta-D-glucopyranosyl (1-->6)-beta-D-glucopyranoside3-O-Glucopyranosyl-1-3-ribopyranosyl-1-3-rhamnopyranosyl-1-2arabinopyranosyloleanolic acid 28-O-rhamnopyranosyl-1-4-glucosypyranosyl-1-6-glucopyranosideOlean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-ribopyranosyl-(1→3)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β)-
数据库标识
- CAS
152464-75-0- PubChem CID
- 192586
性质
结构计算性质
- XLogP
- -3.9
- 极性表面积
- 531 Ų
- 氢键供体
- 19
- 氢键受体
- 34
- 可旋转键
- 18
- 重原子
- 104
- 形式电荷
- 0
- 复杂度
- 2,950
物理化学性质
- 密度
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 酸度系数(pKa)
- 12.5 · 12.50±0.70(Predicted)
相关反应
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当前筛选下没有反应记录。
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