Name: Lanatoside E
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317973
Cas No:20460-30-4
常用名:Lanatoside E
别名:4-18-00-02468 (Beilstein Handbook Reference)
别名:4-18-00-02468 (Beilstein Handbook Reference)
IUPAC:6-({6-[(6-{[2-(formyloxy)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2-methyloxan-3-yl}oxy)-2-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl acetate
IUPAC:6-({6-[(6-{[2-(formyloxy)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl)oxy]-4-hydroxy-2-methyloxan-3-yl}oxy)-2-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl acetate
InChI key:YMKWEJBJAVBYHU-UHFFFAOYSA-N

分子式:C50H76O21
分子量:1013.137
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1OC(CC(O)C1OC1CC(O)C(OC2CC(OC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(CC32O)OC=O)C2=CC(=O)OC2)C1 |t:71|
SMILES:CC1OC(CC(O)C1OC1CC(O)C(OC2CC(OC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(CC32O)OC=O)C2=CC(=O)OC2)C1 |t:71|

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