Bivittoside B
HIT214318000
sdf文件结构编辑类似物检索
HIT ID: HIT214318000
Cas No: 77394-04-8
分子式: C54H88O22
分子量: 1089.276
常用名: Bivittoside B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 16-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-11-en-8-one
IUPAC: 16-({5-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-11-en-8-one
SMILES: COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C(CCC6C5=CC(O)C57C(CCC65C)C(C)(CCCC(C)C)OC7=O)C4(C)C)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C1O |t:35|
SMILES: COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4CCC5(C)C(CCC6C5=CC(O)C57C(CCC65C)C(C)(CCCC(C)C)OC7=O)C4(C)C)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C1O |t:35|
InChI key: OWKJBTKHYSAGRF-UHFFFAOYSA-N
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