Name: Gypenoside H-1
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219229045
Cas No:862286-45-1
常用名:Gypenoside H-1
IUPAC:[(2R,3R,4S,5R,6R)-6-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11aR)-1-[(3S,5S)-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-[(3S,5S)-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
InChI key:AXBJYHWXSQPRFA-VQMBBYARSA-N

分子式:C49H78O18
分子量:955.145
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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

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