Dregeoside Ga1
HIT214316879
sdf文件结构编辑类似物检索
HIT ID: HIT214316879
Cas No: 98665-66-8
分子式: C49H80O17
分子量: 941.162
常用名: Dregeoside Ga1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 10-(acetyloxy)-7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-1-(1-hydroxyethyl)-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: 10-(acetyloxy)-7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-1-(1-hydroxyethyl)-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
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(O)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(O)C(OC)C2O)C(C)O1 |c:36|
InChI key: LLIYLAIGJSAESV-UHFFFAOYSA-N
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