Name: Candicidin D
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318114
Cas No:39372-30-0
常用名:Candicidin D
别名:Levorin A2, Candicidin D1
IUPAC:(10R,12S,14S,18S,19S,20S,22R,23E,25E,27E,29E,31E,33E,35Z,37S,38R)-22-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-38-[(2S,4S,5S)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid
IUPAC:(10R,12S,14S,18S,19S,20S,22R,23E,25E,27E,29E,31E,33E,35Z,37S,38R)-22-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-38-[(2S,4S,5S)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid
InChI key:OPGSFDUODIJJGF-MBDITKJOSA-N

分子式:C59H84N2O18
分子量:1109.317
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(OC(=O)CC(=O)CCCC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC(=O)C[C@H](O)[C@H]([C@@H](O)C[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C/[C@@H]1C)C(O)=O)[C@@H](C)C[C@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1 |c:57,t:45,47,49,51,53,55|
SMILES:[H][C@@]1(OC(=O)CC(=O)CCCC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC(=O)C[C@H](O)[C@H]([C@@H](O)C[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C/[C@@H]1C)C(O)=O)[C@@H](C)C[C@H](C)[C@@H](O)CC(=O)c1ccc(N)cc1 |c:57,t:45,47,49,51,53,55|

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