基本情報
- CAS
143114-86-7- 標準SMILES
CC1(C)CCC2(C(=O)OC3OCC(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1- InChIKey
ONZJEHSXUQSQCU-UHFFFAOYSA-N- 分子式
- C53H84O23
- 平均分子量
- 1,089.2 g/mol
- 単同位体質量
- 1,088.54033892
概要
structure given in first source; isolated from the rhizomes of Panax pseudo-ginseng himalaicus angustifolius
名称と識別子
- 優先名称
- 3-O-glucopyranosyl(1-2)glucuronopyranosyl(1-6)glucopyranosyl 28-O-xylopyranosyl-olean-12-en-28-oic acid ester
- IUPAC
- 6-[[6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-(3,4,5-trihydroxyoxan-2-yl)oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
- 英語名
- 3-O-glucopyranosyl(1-2)glucuronopyranosyl(1-6)glucopyranosyl 28-O-xylopyranosylolean-12-en-28-oic acid ester
- 分子式
- C53H84O23
- 分子量
- 1089.22026
名称と別名
Pseudo-ginsenoside-RI3143114-86-73-O-Glucopyranosyl(1-2)glucuronopyranosyl(1-6)glucopyranosyl 28-O-xylopyranosyl-olean-12-en-28-oic acid esterRefChem:9115736-[[6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-(3,4,5-trihydroxyoxan-2-yl)oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acidOlean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-2)-O-beta-D-glucopyranuronosyl-(1-6)-beta-D-glucopyranosyl)oxy)-, beta-D-xylopyranosyl ester, (3beta)-3-O-glucopyranosyl(1-2)glucuronopyranosyl(1-6)glucopyranosyl 28-O-xylopyranosylolean-12-en-28-oic acid ester6-[[6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-(3,4,5-trihydroxyoxan-2-yl)oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-oxan-2-yl]methoxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2-carboxylic acid
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 371 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 23
- 回転可能結合数
- 12
- 重原子数
- 76
- 形式電荷
- 0
- 複雑度
- 2,140
化学と産業
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HONEST JOY HOLDINGS LIMITED[email protected]
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