Name: Parvodicin B1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600161
Cas No:110882-82-1
常用名:Parvodicin B1
IUPAC:64-{[6-carboxy-4,5-dihydroxy-3-(9-methyldecanamido)oxan-2-yl]oxy}-32,65-dichloro-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8,10,12(64),14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
IUPAC:64-{[6-carboxy-4,5-dihydroxy-3-(9-methyldecanamido)oxan-2-yl]oxy}-32,65-dichloro-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^{3,6}.2^{14,17}.2^{19,34}.1^{8,12}.1^{23,27}.1^{29,33}.1^{41,45}.0^{10,37}.0^{46,51}]hexahexaconta-3,5,8,10,12(64),14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
InChI key:UTUMMENGNWNHJZ-UHFFFAOYSA-N

分子式:C82H86Cl2N8O29
分子量:1718.52
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)C3NC(=O)C(Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)C(O)C7NC(=O)C(NC(=O)C6NC3=O)c3ccc(O)c(c3)-c3c(OC6OC(CO)C(O)C(O)C6O)cc(O)cc3C(NC7=O)C(O)=O)c5OC3OC(C(O)C(O)C3NC(=O)CCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2
SMILES:CNC1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)C3NC(=O)C(Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)C(O)C7NC(=O)C(NC(=O)C6NC3=O)c3ccc(O)c(c3)-c3c(OC6OC(CO)C(O)C(O)C6O)cc(O)cc3C(NC7=O)C(O)=O)c5OC3OC(C(O)C(O)C3NC(=O)CCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2

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