Name: Hellebrin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT101029738
Cas No:13289-18-4
常用名:Hellebrin
IUPAC:7-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
IUPAC:7-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
InChI key:DCSLTSSPIJWEJN-UHFFFAOYSA-N

分子式:C36H52O15
分子量:724.797
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)c2ccc(=O)oc2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
SMILES:CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)c2ccc(=O)oc2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

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