Name: Withanoside VI
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT103264083
Cas No:362472-82-0
常用名:Withanoside VI
IUPAC:6-[1-hydroxy-1-(9-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
IUPAC:6-[1-hydroxy-1-(9-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
InChI key:MKCYAASFWFGIJK-UHFFFAOYSA-N

分子式:C40H62O15
分子量:782.921
氢键供体数 (HBD):9
氢键受体数 (HBA):14
LogP:-0.195
SMILES:CC1=C(C)C(=O)OC(C1)C(C)(O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |c:1,t:19|
SMILES:CC1=C(C)C(=O)OC(C1)C(C)(O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |c:1,t:19|

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