Plantainoside D
HIT212655756
sdf文件结构编辑类似物检索
HIT ID: HIT212655756
Cas No: 147331-98-4
分子式: C29H36O16
分子量: 640.591
常用名: Plantainoside D
氢键受体数 (HBA): 15
氢键供体数 (HBD): 10
LogP: -0.22748461
IUPAC: {6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC: {6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES: OCC1OC(OC2C(O)C(COC(=O)\C=C\c3ccc(O)c(O)c3)OC(OCCc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O
SMILES: OCC1OC(OC2C(O)C(COC(=O)\C=C\c3ccc(O)c(O)c3)OC(OCCc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O
InChI key: CBZYUWGJNYOKHT-ZZXKWVIFSA-N
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