Name: Nogalamycin
Rating: 5 (10 reviews)

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HIT ID:HIT214318580
Cas No:1404-15-5
常用名:Nogalamycin
别名:U-15167, U 15167, Nogalomycin, Nogalamyicn, Nogalamycinum, Nogalamycine
别名:U-15167, U 15167, Nogalomycin, Nogalamyicn, Nogalamycinum, Nogalamycine
IUPAC:methyl (1R,10S,12S,13R,21R,22S,23R,24R)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-10-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-4,6-dimethyloxan-2-yl]oxy}-20,25-dioxahexacyclo[19.3.1.0^{2,19}.0^{5,18}.0^{7,16}.0^{9,14}]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate
IUPAC:methyl (1R,10S,12S,13R,21R,22S,23R,24R)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-10-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-4,6-dimethyloxan-2-yl]oxy}-20,25-dioxahexacyclo[19.3.1.0^{2,19}.0^{5,18}.0^{7,16}.0^{9,14}]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate
InChI key:KGTDRFCXGRULNK-JYOBTZKQSA-N

分子式:C39H49NO16
分子量:787.812
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12Oc3c(cc(O)c4C(=O)c5c(O)c6[C@H](C[C@](C)(O)[C@H](C(=O)OC)c6cc5C(=O)c34)O[C@@H]3O[C@@H](C)[C@H](OC)[C@@](C)(OC)[C@H]3OC)[C@@](C)(O1)[C@H](O)[C@H]([C@@H]2O)N(C)C |TLB:5:4:48:52.51.49,THB:53:52:48:3.4.2,54:51:48:3.4.2,50:49:48:3.4.2|
SMILES:[H][C@@]12Oc3c(cc(O)c4C(=O)c5c(O)c6[C@H](C[C@](C)(O)[C@H](C(=O)OC)c6cc5C(=O)c34)O[C@@H]3O[C@@H](C)[C@H](OC)[C@@](C)(OC)[C@H]3OC)[C@@](C)(O1)[C@H](O)[C@H]([C@@H]2O)N(C)C |TLB:5:4:48:52.51.49,THB:53:52:48:3.4.2,54:51:48:3.4.2,50:49:48:3.4.2|

Nogalamycin is an anthracycline antibiotic with antitumor properties produced by soil bacteria Streptomyces nogalater.

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