Tibesaikosaponin V
HIT218850853
sdf文件结构编辑类似物检索
HIT ID: HIT218850853
Cas No: 2319668-87-4
分子式: C42H68O15
分子量: 812.991
常用名: Tibesaikosaponin V
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4aS,6R,6aS,6bR,8aR,9R,10S,12aS,12bR,13R,14bS)-10-{[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6,13-dihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-5-one
IUPAC: (4aS,6R,6aS,6bR,8aR,9R,10S,12aS,12bR,13R,14bS)-10-{[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6,13-dihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-5-one
SMILES: [H][C@@]12CC(C)(C)CC[C@]1(CO)C(=O)[C@H](O)[C@]1(C)C2=C[C@@H](O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C
SMILES: [H][C@@]12CC(C)(C)CC[C@]1(CO)C(=O)[C@H](O)[C@]1(C)C2=C[C@@H](O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C
InChI key: ONZYNENDGFEXPD-NKRJZQNQSA-N
共显示1个结果
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SC
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