Name: Qinyangshengenin-3-O-glycoside
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219228944
Cas No:250217-53-9
常用名:Qinyangshengenin-3-O-glycoside
IUPAC:(1S,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-acetyl-7-{[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3a,3b-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 4-hydroxybenzoate
IUPAC:(1S,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-acetyl-7-{[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3a,3b-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 4-hydroxybenzoate
InChI key:ATEZNNVIKQPVIN-QPGZUSHKSA-N

分子式:C34H46O11
分子量:630.731
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@H](OC(=O)c3ccc(O)cc3)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@H](CC[C@]21C)O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1)C(C)=O
SMILES:[H][C@]12C[C@@H](OC(=O)c3ccc(O)cc3)[C@]3(C)[C@@](O)(CC[C@]3(O)[C@]1(O)CC=C1C[C@H](CC[C@]21C)O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1)C(C)=O

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