Name: Mathemycin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619121
Cas No:233262-38-9
常用名:Mathemycin B
IUPAC:38-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-40-(10-amino-4-methyldecan-2-yl)-19-{[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6,12,16,20,22,24,26,28,30,32,34,36-dodecahydroxy-5,11,13,15,17,21,27,33,39-nonamethyl-1-oxacyclotetraconta-9,13,17-trien-2-one
IUPAC:38-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-40-(10-amino-4-methyldecan-2-yl)-19-{[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6,12,16,20,22,24,26,28,30,32,34,36-dodecahydroxy-5,11,13,15,17,21,27,33,39-nonamethyl-1-oxacyclotetraconta-9,13,17-trien-2-one
InChI key:InChIKey=LNARHTBARTYDAD-LPKQSFNNSA-N

分子式:C77H142N2O29
分子量:1559.968
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(CCCCCCN)CC(C)C1OC(=O)CCC(C)C(O)CCC=CC(C)C(O)C(C)=CC(C)C(O)C(C)=CC(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)C(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C1C
SMILES:CC(CCCCCCN)CC(C)C1OC(=O)CCC(C)C(O)CCC=CC(C)C(O)C(C)=CC(C)C(O)C(C)=CC(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)C(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C1C

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