3-{[6-Deoxy-2-O-(beta-D-xylopyranosyl)-alpha-L-mannopyranosyl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside（CAS番号：110623-73-9）

3-{[6-Deoxy-2-O-(beta-D-xylopyranosyl)-alpha-L-mannopyranosyl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside

基本情報

編集器で閲覧

CAS番号

110623-73-9

分子式

C38H48O19

分子量

808.78 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

物理状態

Yellow powder

沸点

1066.1 ℃ at 760 mmHg

溶解度

Methanol; DMSO

SMILES

編集器で閲覧

CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)OC6C(C(C(CO6)O)O)O)O)O

InChI

InChI=1S/C38H48O19/c1-14(2)5-10-18-21(53-37-31(49)28(46)26(44)22(12-39)54-37)11-19(40)23-27(45)34(32(55-33(18)23)16-6-8-17(50-4)9-7-16)56-38-35(29(47)24(42)15(3)52-38)57-36-30(48)25(43)20(41)13-51-36/h5-9,11,15,20,22,24-26,28-31,35-44,46-49H,10,12-13H2,1-4H3/t15-,20+,22+,24-,25-,26+,28-,29+,30+,31+,35+,36-,37+,38-/m0/s1

InChIKey

OCZZCFAOOWZSRX-LRHLXKJSSA-N

LogP

-1.4687999999999986

トポロジカル極性表面積

297.12 Å²

水素結合ドナー/アクセプター

10 / 19

複雑度

1420

安全情報

安全情報を表示

保管条件

2-8℃

同義語と引用データ

英語

3-(((2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
CHEBI:169048
Q-100061
DTXSID40149341
AKOS016002028
s9268
Epmedin B
110623-73-9
NS00014974
CS-3677
EX-A6792
Epimedin B
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
MS-31497
4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
AC-6040
CCG-270501
SCHEMBL3674180
A894871
HY-N0259
Epimedin-B
3-[(6-Deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyloxy)]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxy-phenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydr
EPIMEDIN B(P) PrintBack
3-((6-Deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
EPIMEDIN B(PRIMARY STANDARD)
4H-1-Benzopyran-4-one,3-[(6-deoxy-2-O-β-D-xylopyranosyl-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-
Epimedin B;
C38H48O19
AB0029005
X1132