基本情報
- CAS
120381-88-6- 標準SMILES
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC(C)=O)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1- InChIKey
HUKOAMMQHCNVFM-UHFFFAOYSA-N- 分子式
- C50H70O23
- 平均分子量
- 1,039.1 g/mol
- 単同位体質量
- 1,038.43078848
名称と識別子
- 優先名称
- dechromose-A chrommycin A3
- IUPAC
- [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl] acetate
- 英語名
- [6-[6-[6-[[6-(4-acetyloxy-5-hydroxy-6-methyl-oxan-2-yl)oxy-3-(3,4-dihy droxy-1-methoxy-2-oxo-pentyl)-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro -2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyl-oxan-4-yl]oxy-3-hydroxy-2-m ethyl-oxan-4-yl]oxy-4-hydroxy-2,4-dimethyl-oxan-3-yl] acetate
- 分子式
- C50H70O23
- 分子量
- 1039.08
名称と別名
Dechromose-A chrommycin A3CRA-B120381-88-6RefChem:131311SCHEMBL29419684Olivomycin D, 3D-O-(4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-3A-O-de(2,6-dideoxy-4-O-methyl-beta-L-lyxo-hexopyranosyl)-7-methyl-Olivomycin D, 3D-O-(4-O-acetyl-2,6-dideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-3A-O-de(2,6-dideoxy-4-O-methyl-β-L-lyxo-hexopyranosyl)-7-methyl- (9CI)[6-[6-[6-[[6-(4-acetyloxy-5-hydroxy-6-methyl-oxan-2-yl)oxy-3-(3,4-dihy droxy-1-methoxy-2-oxo-pentyl)-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro -2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyl-oxan-4-yl]oxy-3-hydroxy-2-m ethyl-oxan-4-yl]oxy-4-hydroxy-2,4-dimethyl-oxan-3-yl] acetate
データベース識別子
- CAS
120381-88-6- PubChem CID
- 149368
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 332 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 23
- 回転可能結合数
- 17
- 重原子数
- 73
- 形式電荷
- 0
- 複雑度
- 1,910
化学と産業
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