Isoasiaticoside
Isoasiaticoside · CAS 948827-09-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Isoasiaticoside
- CAS
- 948827-09-6
- CID
- 76551298
- IUPAC 名称
- [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] 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picene-4a-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Isoasiaticoside
- CAS
- 948827-09-6
- CID
- 76551298
- IUPAC 名称
- [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] 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picene-4a-carboxylate
分子属性
- 分子式
- C48H78O19
- 分子量
- 959.1 g/mol
- 精确质量
- 958.51373025 Da
- 单同位素质量
- 958.51373025 Da
- XLogP
- 0.2
- 极性表面积
- 315 Ų
- 氢键供体
- 12
- 氢键受体
- 19
- 可旋转键
- 10
- 重原子数
- 67
- 净电荷
- 0
- 结构复杂度
- 1820
结构标识
- InChIKey
- ATNAJMVRCNQHAG-UHFFFAOYSA-N
- SMILES
- CC1C2C3CCC4C(C3(CCC2(CC=C1C)C(=O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)O)O)O)O)C)(CCC8C4(CC(C(C8(C)CO)O)O)C)C
- InChI
- InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h10,21-42,49-60H,8-9,11-19H2,1-7H3