基本情報
- CAS
76264-95-4- 標準SMILES
CC[C@@]1(O)CC(O[C@H]2C[C@H](N(C)C)C(O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O- InChIKey
OIAHYVPTZYBBFB-JKOIIKDVSA-N- 分子式
- C40H51NO15
- 平均分子量
- 785.8 g/mol
- 単同位体質量
- 785.32586992
概要
Betaclamycin A has been reported in Streptomyces galilaeus with data available.
名称と識別子
- 優先名称
- Betaclamycin A
- IUPAC
- (9R,10R)-7-[(2R,4S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
- 現地名
- ベタクラマイシンA
- 英語名
- betaclamycin A
- 分子式
- C40H51NO15
- 分子量
- 785.83
名称と別名
Betaclamycin A76264-95-4(9R,10R)-7-[(2R,4S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione(9R,10R)-7-((2R,4S,6S)-4-(dimethylamino)-5-((2S,4S,5S,6S)-4-hydroxy-6-methyl-5-((2R,6S)-6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl)oxy-6-methyloxan-2-yl)oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dioneRefChem:119519beta-Rmn-Abeta-Rhodomycin RDCBRN 4900947SCHEMBL29467023DTXSID109975985,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,6,7,8,11-pentahydroxy-10-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-(7-alpha,8-beta,10-beta))-(3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl (4xi)-2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxooxan-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-threo-hexopyranoside
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 231 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 16
- 回転可能結合数
- 8
- 重原子数
- 56
- 形式電荷
- 0
- 複雑度
- 1,450
関連反応
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