Name: Woodrosin I
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212718702
Cas No:156057-51-1
常用名:Woodrosin I
IUPAC:4,10,11,29,30,39-hexahydroxy-41-({4-hydroxy-6-methyl-3,5-bis[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-5,12,31-tris(hydroxymethyl)-38-[(2-methylbutanoyl)oxy]-26-oxo-16-pentyl-2,6,8,13,15,27,32,34,40-nonaoxapentacyclo[34.3.1.1^{3,7}.0^{9,14}.0^{28,33}]hentetracontan-37-yl 2-methylbutanoate
IUPAC:4,10,11,29,30,39-hexahydroxy-41-({4-hydroxy-6-methyl-3,5-bis[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-5,12,31-tris(hydroxymethyl)-38-[(2-methylbutanoyl)oxy]-26-oxo-16-pentyl-2,6,8,13,15,27,32,34,40-nonaoxapentacyclo[34.3.1.1^{3,7}.0^{9,14}.0^{28,33}]hentetracontan-37-yl 2-methylbutanoate
InChI key:MQNTUHJXSGSICT-UHFFFAOYSA-N

分子式:C66H112O30
分子量:1385.592
氢键供体数 (HBD):10
氢键受体数 (HBA):25
LogP:6.243932
SMILES:CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(O)C(CO)OC2OCC2OC(OC3C(O)C(CO)OC(OC4C(O)C(O)C(CO)OC4O1)C3OC1OC(C)C(OC(=O)C(C)CC)C(O)C1OC(=O)C(C)CC)C(O)C(OC(=O)C(C)CC)C2OC(=O)C(C)CC
SMILES:CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(O)C(CO)OC2OCC2OC(OC3C(O)C(CO)OC(OC4C(O)C(O)C(CO)OC4O1)C3OC1OC(C)C(OC(=O)C(C)CC)C(O)C1OC(=O)C(C)CC)C(O)C(OC(=O)C(C)CC)C2OC(=O)C(C)CC

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