[6-[[6-[4-[4-(4,5-dihydroxy-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)-5,10-dihydroxy-3-methyl-4-oxo-6,7,8,8a-tetrahydro-3H-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate
基本情報
- CAS
6992-71-8- 標準SMILES
COC(C(=O)C(O)C(C)O)C1CC2C=C3C=C(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(C)=O)C(C)O4)C(C)C(=O)C3=C(O)C2=C(O)C1OC1CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1- InChIKey
PFJKUKNHLIEZRW-UHFFFAOYSA-N- 分子式
- C55H82O25
- 平均分子量
- 1,143.2 g/mol
- 単同位体質量
- 1,142.5145181
名称と識別子
- 優先名称
- [6-[[6-[4-[4-(4,5-dihydroxy-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)-5,10-dihydroxy-3-methyl-4-oxo-6,7,8,8a-tetrahydro-3H-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate
- IUPAC
- [6-[[6-[4-[4-(4,5-dihydroxy-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)-5,10-dihydroxy-3-methyl-4-oxo-6,7,8,8a-tetrahydro-3H-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate
名称と別名
NSC-270051
データベース識別子
- CAS
6992-71-8- PubChem CID
- 430247
物性
構造計算による物性
- XLogP
- -0.5
- 極性表面積
- 353 Ų
- 水素結合供与体数
- 9
- 水素結合受容体数
- 25
- 回転可能結合数
- 18
- 重原子数
- 80
- 形式電荷
- 0
- 複雑度
- 2,360
関連反応
0 件
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