Condurango glycoside E3
HIT217584164
sdf文件结构编辑类似物检索
HIT ID: HIT217584164
Cas No: 115784-10-6
分子式: C66H98O26
分子量: 1307.484
常用名: Condurango glycoside E3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-acetyl-10-(acetyloxy)-3a,3b-dihydroxy-7-[(5-{[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}-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-phenylprop-2-enoate
IUPAC: 1-acetyl-10-(acetyloxy)-3a,3b-dihydroxy-7-[(5-{[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}-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-phenylprop-2-enoate
SMILES: COC1CC(OC2CCC3(C)C4C(OC(C)=O)C(OC(=O)C=Cc5ccccc5)C5(C)C(CCC5(O)C4(O)CC=C3C2)C(C)=O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1
SMILES: COC1CC(OC2CCC3(C)C4C(OC(C)=O)C(OC(=O)C=Cc5ccccc5)C5(C)C(CCC5(O)C4(O)CC=C3C2)C(C)=O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1
InChI key: JACVSUHGIDCGLG-UHFFFAOYSA-N
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