Pfaffoside B
HIT214320494
sdf文件结构编辑类似物检索
HIT ID: HIT214320494
Cas No: 78244-75-4
分子式: C68H110O33
分子量: 1455.595
常用名: Pfaffoside B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[16-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-4-hydroxyoxan-2-yl}oxy)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-1(20)-en-6-yl]-4-methylpentan-2-yl acetate
IUPAC: 1-[16-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-4-hydroxyoxan-2-yl}oxy)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-1(20)-en-6-yl]-4-methylpentan-2-yl acetate
SMILES: COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4C(O)C(COC4OC4CCC5(C)C6CCC78C(CCC7(C)C6=CCC5C4(C)C)C(C)(CC(CC(C)C)OC(C)=O)OC8=O)OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC)C5O)C4O)C(O)C3O)C2O)C1O |c:50|
SMILES: COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4C(O)C(COC4OC4CCC5(C)C6CCC78C(CCC7(C)C6=CCC5C4(C)C)C(C)(CC(CC(C)C)OC(C)=O)OC8=O)OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC)C5O)C4O)C(O)C3O)C2O)C1O |c:50|
InChI key: UTTMVFMTWNLRGZ-UHFFFAOYSA-N
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