Name: Dregeoside A11
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316880
Cas No:89020-11-1
常用名:Dregeoside A11
别名:苦绳苷 A11
IUPAC:1-acetyl-10-(acetyloxy)-3a-hydroxy-7-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3-methylbutanoate
IUPAC:1-acetyl-10-(acetyloxy)-3a-hydroxy-7-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl 3-methylbutanoate
InChI key:MFKBDIFPRYHKES-UHFFFAOYSA-N

分子式:C55H88O22
分子量:1101.287
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC1CC(OC2CCC3(C)C4C(OC(C)=O)C(OC(=O)CC(C)C)C5(C)C(CCC5(O)C4CC=C3C2)C(C)=O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1 |c:36|
SMILES:COC1CC(OC2CCC3(C)C4C(OC(C)=O)C(OC(=O)CC(C)C)C5(C)C(CCC5(O)C4CC=C3C2)C(C)=O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1 |c:36|

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