Name: Parvodicin C1
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT217668216
Cas No:110882-84-3
常用名:Parvodicin C1
IUPAC:(1S,2R,19R,22R,34S,37R,40R,52S)-64-{[(2S,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(10-methylundecanamido)oxan-2-yl]oxy}-32,65-dichloro-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-{[(2R,3S,4S,5S,6R)-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(64),9,11,14,16,23(61),24,26,29(60),30,32,41,43,45(57),46(51),47,49,62,65-henicosaene-52-carboxylic acid
IUPAC:(1S,2R,19R,22R,34S,37R,40R,52S)-64-{[(2S,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(10-methylundecanamido)oxan-2-yl]oxy}-32,65-dichloro-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-{[(2R,3S,4S,5S,6R)-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(64),9,11,14,16,23(61),24,26,29(60),30,32,41,43,45(57),46(51),47,49,62,65-henicosaene-52-carboxylic acid
InChI key:PZMMGNLKWHJGSE-PSDJNXLUSA-N

分子式:C83H88Cl2N8O29
分子量:1732.54
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN[C@@H]1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)[C@@H]3NC(=O)[C@@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3ccc(O)c(c3)-c3c(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)cc3[C@H](NC7=O)C(O)=O)c5O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2
SMILES:CN[C@@H]1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)[C@@H]3NC(=O)[C@@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3ccc(O)c(c3)-c3c(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)cc3[C@H](NC7=O)C(O)=O)c5O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2

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