Furostan-12-one, 3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-->3)-O-[beta-D-xylopyranosyl-(1-->2)]-O-beta-D-glucopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)-22-hydroxy-, (3beta,5alpha,22alpha,25R)-
基本情報
- CAS
58546-21-7- 標準SMILES
CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(C)C(OC%10OC(C)C(O)C(O)C%10O)C(O)C9O)C8OC8OCC(O)C(O)C8O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O- InChIKey
IMDVEXVWVKJLBU-UHFFFAOYSA-N- 分子式
- C68H112O37
- 平均分子量
- 1,521.6 g/mol
- 単同位体質量
- 1,520.6882445
名称と識別子
- 優先名称
- Furostan-12-one, 3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-->3)-O-[beta-D-xylopyranosyl-(1-->2)]-O-beta-D-glucopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)-22-hydroxy-, (3beta,5alpha,22alpha,25R)-
- IUPAC
- 16-[5-[5-[4-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-10-one
名称と別名
Furostan-12-one, 3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-->3)-O-[beta-D-xylopyranosyl-(1-->2)]-O-beta-D-glucopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)-22-hydroxy-, (3beta,5alpha,22alpha,25R)-orb1983675TP2424
データベース識別子
- CAS
58546-21-7- PubChem CID
- 73116248
物性
構造計算による物性
- XLogP
- -7.4
- 極性表面積
- 580 Ų
- 水素結合供与体数
- 21
- 水素結合受容体数
- 37
- 回転可能結合数
- 22
- 重原子数
- 105
- 形式電荷
- 0
- 複雑度
- 2,850
実験および物理化学的性質
Melting Point228 - 230 °C
Physical DescriptionSolid
化学と産業
薬理情報
Cellular LocationsCytoplasm
関連反応
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