Gypenoside H-2
HIT219229056
sdf文件结构编辑类似物检索
HIT ID: HIT219229056
Cas No: 862286-47-3
分子式: C49H78O18
分子量: 955.145
常用名: Gypenoside H-2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(2R,3R,4S,5R,6R)-6-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11aR)-1-[(3R,5R)-3-hydroxy-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3-hydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]methyl acetate
IUPAC: [(2R,3R,4S,5R,6R)-6-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11aR)-1-[(3R,5R)-3-hydroxy-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3-hydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]methyl acetate
SMILES: [H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@]1(O)C[C@@H](OC1=O)C=C(C)C
SMILES: [H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@]1(O)C[C@@H](OC1=O)C=C(C)C
InChI key: AXBJYHWXSQPRFA-CPCOBTRLSA-N
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