ginsenoside Mx
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
80325-22-0- 標準SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C- InChIKey
YNBYFOIDLBTOMW-IPTBNLQOSA-N- 分子式
- C41H70O12
- 平均分子量
- 755 g/mol
- 単同位体質量
- 754.48672766
概要
Ginsenoside Mx is a ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions and in which the hydroxy group at position 20 has been converted to the corresponding beta-D-xylopyranosyl-beta-D-glucopyranoside. It has a role as an antineoplastic agent and a plant metabolite. It is a 3beta-hydroxy-4,4-dimethylsteroid, a beta-D-glucoside, a tetracyclic triterpenoid, a disaccharide derivative and a ginsenoside. It is functionally related to a (20S)-protopanaxadiol. It derives from a hydride of a dammarane.
名称と識別子
- 優先名称
- ginsenoside Mx
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
- 英語名
- Gypenoside XIII
- 分子式
- C41H70O12
- 分子量
- 754.99
名称と別名
ginsenoside MxCHEBI:77490(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol20-[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyloxy]dammar-24-ene-3beta,12-diol(3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside20-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyloxy)dammar-24-ene-3beta,12-diol(2S,3R,4S,5S,6R)-2-((2S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy-6-(((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxane-3,4,5-triolRefChem:143216Gypenoside XIII80325-22-0orb1707937orb3140144
名称をさらに表示
Gypenoside XIII (Standard)β-D-Glucopyranoside, (3β,12β)-3,12-dihydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-
物性
構造計算による物性補完中
- XLogP
- 3.5
- 極性表面積
- 199 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 12
- 回転可能結合数
- 9
- 重原子数
- 53
- 形式電荷
- 0
- 複雑度
- 1,320
物理化学的性質
- 融点
- 162.5 · 162.5-165 °C(Solv: methanol (67-56-1); ethyl acetate (141-78-6))
- 沸点
- 845.9 · 845.9±65.0 °C(Predicted)
- 比重(密度)
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 12.91 · 12.91±0.70(Predicted)
- 外見
- Solid
- 色
- White to off-white
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…