Name: Pradimicin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600754
Cas No:117704-66-2
常用名:Pradimicin B
IUPAC:2-[(10-{[3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy}-2,5,11,17-tetrahydroxy-19-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl)formamido]propanoic acid
IUPAC:2-[(10-{[3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy}-2,5,11,17-tetrahydroxy-19-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaen-6-yl)formamido]propanoic acid
InChI key:DHQWPIXFALDZDJ-UHFFFAOYSA-N

分子式:C35H36N2O14
分子量:708.673
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC1C(C)OC(OC2C(O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)NC(C)C(O)=O)c(C)cc23)C(O)C1O
SMILES:CNC1C(C)OC(OC2C(O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3-c3c(O)c(C(=O)NC(C)C(O)=O)c(C)cc23)C(O)C1O

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