Tetromycin C1
HIT213887972
sdf文件结构编辑类似物检索
HIT ID: HIT213887972
Cas No:
分子式: C50H64O14
分子量: 889.048
常用名: Tetromycin C1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (7E,11Z)-17-{[5-(2,4-dimethoxy-6-methylbenzoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-27-hydroxy-3,6,8,12,14,20,22-heptamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,24(27)-pentaene-4-carboxylic acid
IUPAC: (7E,11Z)-17-{[5-(2,4-dimethoxy-6-methylbenzoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-27-hydroxy-3,6,8,12,14,20,22-heptamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,24(27)-pentaene-4-carboxylic acid
SMILES: COc1cc(C)c(C(=O)OC2C(C)OC(OC3CCC(C)C4C3C=C(C)C3\C(C)=C/CC\C(C)=C\C5(C)C=C(C(C)CC55OC(=O)C(=C5O)C(=O)C43C)C(O)=O)C(O)C2O)c(OC)c1 |c:29,38,48,t:24,34|
SMILES: COc1cc(C)c(C(=O)OC2C(C)OC(OC3CCC(C)C4C3C=C(C)C3\C(C)=C/CC\C(C)=C\C5(C)C=C(C(C)CC55OC(=O)C(=C5O)C(=O)C43C)C(O)=O)C(O)C2O)c(OC)c1 |c:29,38,48,t:24,34|
InChI key: GOMGANBHXVPZLC-AZYBIOTQSA-N
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