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Product details

名称

Deltonin

分子类型

小分子

别名

三角叶薯蓣皂苷

英文别名

(3beta,25R)-Spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranoside | UNII-39Y54R152I | AKOS040756438 | CHEBI:4389 | 3-O-.BETA.-D-GLUCOPYRANOSYL(1->4)-(.ALPHA.-L-RHAMNOPYRANOSYL(1->2))-.BETA.-D-GLUCO

英文名称

Deltonin

货号

D646325-5mg

包装规格

5mg

级别

Moligand™

浓度

≥98%

储存温度

避光,-20°C储存

运输条件

超低温冰袋运输

敏感性

对光线敏感

产品介绍

Deltonin 是从盾叶薯蓣中得到的甾体皂苷，能够抑制 ERK1/2 和 AKT 的活化，具有抗肿瘤的活性。 Deltonin, a steroidal saponin, isolated from Dioscorea zingiberensis, has antitumor activity; Deltonin inhibits ERK1/2 and AKT activation.

生化机理

Deltonin 是一种甾体皂苷，从薯蓣中分离出来，具有抗肿瘤活性；Deltonin 可抑制 ERK1/2 和 AKT 的活化。

CAS号

55659-75-1

分子式

C45H72O17

分子量

885.04 g/mol

PubChem编号

441884

Isomeric SMILES

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1

IIUPAC Name

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

INCHI

1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1

InChi Key

OLAMGHNQGZIWHZ-YIKYYZBWSA-N

Smiles

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

PubChem CID

441884

关联CAS

55659-75-1

MeSH Entry Terms

deltonin

溶解性

DMSO : 50 mg/mL (56.49 mM; Need ultrasonic)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

884.477 Da

单同位素质量Monoisotopic Mass

884.477 Da

拓扑极表面积Topological Polar Surface Area

256.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

1620

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

0.8

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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