Name: Pfaffoside B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320494
Cas No:78244-75-4
常用名:Pfaffoside B
别名:Stichloroside A
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
InChI key:UTTMVFMTWNLRGZ-UHFFFAOYSA-N

分子式:C68H110O33
分子量:1455.595
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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|

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