(3β,12β)-2-0-[6-O-β-D-吡喃型葡糖基 -β-D-吡喃型葡糖基]氧-12-羟基达玛 烷-3-基-2-O-β-D-吡喃型葡糖基-β-D- 吡喃型葡糖苷
Ginsenoside Rb1 · CAS 41753-43-9
- 中文名
- (3β,12β)-2-0-[6-O-β-D-吡喃型葡糖基 -β-D-吡喃型葡糖基]氧-12-羟基达玛 烷-3-基-2-O-β-D-吡喃型葡糖基-β-D- 吡喃型葡糖苷
- 中文别名
- 暂无
- 英文名
- Ginsenoside Rb1
- CAS
- 41753-43-9
- CID
- 9898279
- IUPAC 名称
- (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
名称与编号
- 中文名
- (3β,12β)-2-0-[6-O-β-D-吡喃型葡糖基 -β-D-吡喃型葡糖基]氧-12-羟基达玛 烷-3-基-2-O-β-D-吡喃型葡糖基-β-D- 吡喃型葡糖苷
- 中文别名
- 暂无
- 英文名
- Ginsenoside Rb1
- CAS
- 41753-43-9
- CID
- 9898279
- IUPAC 名称
- (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
分子属性
- 分子式
- C54H92O23
- 分子量
- 1109.3 g/mol
- 精确质量
- 1108.60293918 Da
- 单同位素质量
- 1108.60293918 Da
- XLogP
- 0.3
- 极性表面积
- 377 Ų
- 氢键供体
- 15
- 氢键受体
- 23
- 可旋转键
- 16
- 重原子数
- 77
- 净电荷
- 0
- 结构复杂度
- 2000
结构标识
- InChIKey
- GZYPWOGIYAIIPV-JBDTYSNRSA-N
- SMILES
- CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C
- InChI
- InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1