Dihydrophaseic acid 4'-O-beta-D-glucopyranoside
HIT214312762
sdf文件结构编辑类似物检索
HIT ID: HIT214312762
Cas No: 78914-56-4
分子式: C21H32O10
分子量: 444.477
常用名: Dihydrophaseic acid 4'-O-beta-D-glucopyranoside
常用名: Dihydrophaseic acid 4'-O-beta-D-glucopyranoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2Z,4E)-5-[(1R,3S,5R,8S)-8-hydroxy-1,5-dimethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
IUPAC: (2Z,4E)-5-[(1R,3S,5R,8S)-8-hydroxy-1,5-dimethyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
SMILES: C\C(\C=C\[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@H](C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C(O)=O |TLB:3:4:8.9:12.14.13,THB:15:13:8.9:4,5:4:8.9:12.14.13|
SMILES: C\C(\C=C\[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@H](C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C(O)=O |TLB:3:4:8.9:12.14.13,THB:15:13:8.9:4,5:4:8.9:12.14.13|
InChI key: UHHVHDDICOEBTQ-WTZDRGJSSA-N
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