(25R)-17-alpha-hydroxyspirost-5-en-3-beta-yl-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
(25R)-17-alpha-hydroxyspirost-5-en-3-beta-yl-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside · CAS 55916-51-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (25R)-17-alpha-hydroxyspirost-5-en-3-beta-yl-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
- CAS
- 55916-51-3
- CID
- 10417550
- IUPAC 名称
- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-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
- (25R)-17-alpha-hydroxyspirost-5-en-3-beta-yl-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
- CAS
- 55916-51-3
- CID
- 10417550
- IUPAC 名称
- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
分子属性
- 分子式
- C39H62O13
- 分子量
- 738.9 g/mol
- 精确质量
- 738.41904203 Da
- 单同位素质量
- 738.41904203 Da
- XLogP
- 1.7
- 极性表面积
- 197 Ų
- 氢键供体
- 7
- 氢键受体
- 13
- 可旋转键
- 5
- 重原子数
- 52
- 净电荷
- 0
- 结构复杂度
- 1360
结构标识
- InChIKey
- WHWWQGPCTUQCMN-JDDKMXSSSA-N
- SMILES
- C[C@@H]1CC[C@@]2([C@H]([C@]3([C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O)C)OC1
- InChI
- InChI=1S/C39H62O13/c1-18-8-13-38(47-17-18)20(3)39(46)27(52-38)15-25-23-7-6-21-14-22(9-11-36(21,4)24(23)10-12-37(25,39)5)49-35-33(31(44)29(42)26(16-40)50-35)51-34-32(45)30(43)28(41)19(2)48-34/h6,18-20,22-35,40-46H,7-17H2,1-5H3/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-,36+,37+,38-,39-/m1/s1