2-{[2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-4-yl]oxy}-6-methyloxane-3,4,5-triol, Peiioside B
HIT218679383
sdf文件结构编辑类似物检索
HIT ID: HIT218679383
Cas No:
分子式: C25H38O16
分子量: 594.563
常用名: 2-{[2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-4-yl]oxy}-6-methyloxane-3,4,5-triol, Peiioside B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{[2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxyoxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
SMILES: CC1OC(OC2C(O)C(COC3OCC(O)(CO)C3O)OC(OCCc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O
InChI key: MDGFXWIFYYDOTA-UHFFFAOYSA-N
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