(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate, Caffeoylcalleryanin
HIT218679514
sdf文件结构编辑类似物检索
HIT ID: HIT218679514
Cas No:
分子式: C22H24O11
分子量: 464.423
常用名: (3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate, Caffeoylcalleryanin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES: OCC1OC(Oc2ccc(COC(=O)C=Cc3ccc(O)c(O)c3)cc2O)C(O)C(O)C1O
InChI key: VTHLSAOVZTYBRV-UHFFFAOYSA-N
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