Ellagic acid 4-O-β-D-xylopyranoside
HIT218840467
sdf文件结构编辑类似物检索
HIT ID: HIT218840467
Cas No: 139163-18-1
分子式: C19H14O12
分子量: 434.309
常用名: Ellagic acid 4-O-β-D-xylopyranoside
常用名: Ellagic acid 4-O-β-D-xylopyranoside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6,7,14-trihydroxy-13-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
IUPAC: 6,7,14-trihydroxy-13-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
SMILES: O[C@@H]1CO[C@@H](Oc2cc3c4c(oc(=O)c5cc(O)c(O)c(oc3=O)c45)c2O)[C@H](O)[C@H]1O
SMILES: O[C@@H]1CO[C@@H](Oc2cc3c4c(oc(=O)c5cc(O)c(O)c(oc3=O)c45)c2O)[C@H](O)[C@H]1O
InChI key: KNURQRIPZJJYQO-PJIMMEPBSA-N
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