Apigenin-7-O-(2G-rhamnosyl)gentiobioside
HIT212664577
sdf文件结构编辑类似物检索
HIT ID: HIT212664577
Cas No: 174284-20-9
分子式: C33H40O19
分子量: 740.664
常用名: Apigenin-7-O-(2G-rhamnosyl)gentiobioside
常用名: Apigenin-7-O-(2G-rhamnosyl)gentiobioside
氢键受体数 (HBA): 19
氢键供体数 (HBD): 11
LogP: -2.0561402
IUPAC: 7-{[4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
IUPAC: 7-{[4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
SMILES: CC1OC(OC2C(Oc3cc(O)c4c(c3)oc(cc4=O)-c3ccc(O)cc3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
SMILES: CC1OC(OC2C(Oc3cc(O)c4c(c3)oc(cc4=O)-c3ccc(O)cc3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
InChI key: LXOPDILLGIDKLW-UHFFFAOYSA-N
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