25(S)-Ruscogenin 1-O-alpha-L-rhamnopyranosyl-(1-->2)-beta-D-xylopyranoside
25(S)-Ruscogenin 1-O-alpha-L-rhamnopyranosyl-(1-->2)-beta-D-xylopyranoside · CAS 125225-63-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 25(S)-Ruscogenin 1-O-alpha-L-rhamnopyranosyl-(1-->2)-beta-D-xylopyranoside
- CAS
- 125225-63-0
- CID
- 3509806
- IUPAC 名称
- 2-[4,5-dihydroxy-2-(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)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 25(S)-Ruscogenin 1-O-alpha-L-rhamnopyranosyl-(1-->2)-beta-D-xylopyranoside
- CAS
- 125225-63-0
- CID
- 3509806
- IUPAC 名称
- 2-[4,5-dihydroxy-2-(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)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
分子属性
- 分子式
- C38H60O12
- 分子量
- 708.9 g/mol
- 精确质量
- 708.40847734 Da
- 单同位素质量
- 708.40847734 Da
- XLogP
- 2.1
- 极性表面积
- 177 Ų
- 氢键供体
- 6
- 氢键受体
- 12
- 可旋转键
- 4
- 重原子数
- 50
- 净电荷
- 0
- 结构复杂度
- 1300
结构标识
- InChIKey
- SKHJNNFXCKTDBG-UHFFFAOYSA-N
- SMILES
- CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1
- InChI
- InChI=1S/C38H60O12/c1-17-8-11-38(46-15-17)18(2)28-26(50-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)48-35-33(30(42)25(40)16-45-35)49-34-32(44)31(43)29(41)19(3)47-34/h6,17-19,21-35,39-44H,7-16H2,1-5H3