alpha2-Rmn-A
基本情報
- CAS
80930-58-1- 標準SMILES
CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2cc3c(c(O)c2C1O)C(=O)c1c(O)ccc(O)c1C3=O- InChIKey
RYNVUDIYVNYQCU-UHFFFAOYSA-N- 分子式
- C40H51NO15
- 平均分子量
- 785.8 g/mol
- 単同位体質量
- 785.32586992
名称と識別子
- 優先名称
- alpha2-Rmn-A
- IUPAC
- 7-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
名称と別名
80930-58-1ALPHA2-RMN-ADTXSID701001644(7R-(7alpha,8beta,10beta))-8-Ethyl-7,8,9,10-tetrahydro-1,4,6,7,8-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)-5,12-naphthacenedione5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,4,6,7,8-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-(7alpha,8beta,10beta))-8-Ethyl-7,8,9,10-tetrahydro-1,4,6,7,8-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)-5,12-naphthacenedione (7R-(7alpha,8beta,10beta))-3-Ethyl-3,4,5,7,10-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranoside
データベース識別子
- CAS
80930-58-1- PubChem CID
- 157445
- DTXSID
DTXSID701001644
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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