Astragaloside I（CAS号：84680-75-1）

黄芪皂苷 I

基本信息

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CAS号

84680-75-1

分子式

C45H72O16

分子量

869.04 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

物理状态

Powder

熔点

No data available

沸点

910.64 °C at 760 mmHg

密度

1.39

闪点

265.49 °C

溶解度

Methanol; Ethanol

折射率

1.603

SMILES

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OC[C@H]1O[C@@H](O[C@H]2C[C@H]3[C@]4(C)C[C@@H]([C@@H]([C@@]4(C)CC[C@]43[C@@]3([C@@H]2C(C)(C)[C@H](CC3)O[C@@H]2OC[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)O)C4)[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI

InChI=1S/C45H72O16/c1-21(47)56-33-24(50)19-55-38(34(33)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-25(36(45)39(28,3)4)58-37-32(53)31(52)30(51)26(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,33-,34+,35-,36-,37+,38-,41+,42-,43+,44-,45+/m0/s1

InChIKey

KXHCYYSIAXMSPA-OOCCOBHWSA-N

LogP

1.8657000000000061

pKa

12.87±0.70(Predicted)

拓扑极性表面积

240.35999999999996 Å²

氢键供体/受体

7 / 16

复杂度

1610

安全信息

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储存条件

-20℃

同义词与引用数据

英文

Astragaloside I
3-O-β-(2',3'-di-O-acetyl)-D-xylopyranosyl-6-O-β-D-glucopyranosyl-cycloastragenol
ASTRAGALOSIDE I(SH)
ASTRAGALOSIDEⅠ
b-D-Glucopyranoside, (3b,6a,16b,20R,24S)-3-[(2,3-di-O-acetyl-b-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl
2,5-Bis[1-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl]-3,6-dimethoxy-2,5-cyclohexadiene-1,4-dione
2,5-bis[1-(1,1-dimethylallyl)-1H-indol-3-yl]-3,6-dimethoxy-1,4-benzo
2,5-bis-[1-(1,1-dimethyl-allyl)-indol-3-yl]-3,6-dimethoxy-[1,4]benzoquinone
2,5-dimethoxy-3,6-bis[1-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Asterrichinon-dimethylether
asterriquinone dimethyl ether
Astrasieversianin IV
Cyclosieversioside B
cyclosiversioside B
(3β,6α,16β,20R,24S)-3-[(2,3-Di-O-acetyl-β-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl β-D-glucopyranoside
AstragalosideI
Astragaloside-I
C43H68O16
X1090
ASTRAGALOSIDE cent inverted exclamation mark
680A751
3-O--(2\\',3\\'-di-O-acetyl)-D-xylopyranosyl-6-O--D-glucopyranosyl-cycloastragenol
[(2S,3R,4S,5R)-3-Acetyloxy-5-hydroxy-2-[[(1R,3R,6S,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-
CID 51346122
Astrasieversianin IV,Cyclosieversioside B,9,19-Cyclolanostane, β-D-glucopyranoside deriv
20,24-EPOXYCYCLOARTANE-3,16,25-TRIOL-6-O-BETA-D-GLUCOPYRANOSIDE
ASTRAGALOSIDE I
Cyclosiversioside B
Astragaloside I (Astrasieversianin IV
Astragaloside l, 98%, from Astragalus membranaceus Bunge