Tinosporoside A
HIT214317015
sdf文件结构编辑类似物检索
HIT ID: HIT214317015
Cas No: 2244777-15-7
分子式: C27H36O12
分子量: 552.573
常用名: Tinosporoside A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (2S,4aS,6S,6aR,9R,10aS,10bS)-2-(furan-3-yl)-6-hydroxy-6a,10b-dimethyl-4-oxo-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate
IUPAC: methyl (2S,4aS,6S,6aR,9R,10aS,10bS)-2-(furan-3-yl)-6-hydroxy-6a,10b-dimethyl-4-oxo-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate
SMILES: [H][C@]12C[C@H](O)[C@@]3(C)C(=C[C@@H](C[C@@]3([H])[C@]1(C)C[C@H](OC2=O)c1ccoc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC |c:7|
SMILES: [H][C@]12C[C@H](O)[C@@]3(C)C(=C[C@@H](C[C@@]3([H])[C@]1(C)C[C@H](OC2=O)c1ccoc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC |c:7|
InChI key: RLDBFEYEGMFZOM-RPAZSMEJSA-N
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