58809-09-9 (延龄草A,Trillenoside A)

快速询单

结构式：

延龄草AMOL文件

CAS号：

58809-09-9

中文名称：

延龄草A

英文名称：

Trillenoside A

分子式：

C₄₇H₇₀O₂₄

分子量：

1019.04431772232

植物源：

延龄草

延龄草A(58809-09-9)名称与标识符

名称

中文别名：

延龄草A;延龄草甙 A;

英文别名：

Trillenoside A;(25S)-1β-[2-O-(3-O-D-Apio-β-D-furanosyl-α-L-rhamnopyranosyl)-3-O-β-D-xylopyranosyl-α-L-arabinopyranosyloxy]-3β,21,23α,24β-tetrahydroxy-18-norspirosta-5,13-diene-15-one;(1beta,3beta,23S,24R,25S)-1-[(O-D-apio-beta-D-Furanosyl-(1→3)-O-6-deoxy-alpha-L-mannopyranosyl-(1→2)-O-[beta-D-xylopyranosyl-(1→3)]-alpha-L-arabinopyranosyl)oxy]-3,21,23,24-tetrahydroxy-18-norspirosta-5,13-dien-15-one;14-[3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3',4',16-trihydroxy-7-(hydroxymethyl)-5',13-dimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2(9),18-diene-6,2'-oxane]-3-one;58809-09-9;

标识符

InChIKey：

DDFDNHCZISHVDX-UHFFFAOYSA-N

Inchi：

1S/C47H70O24/c1-16-11-65-47(39(59)29(16)53)23(10-48)28-21-6-7-22-20(27(21)32(56)36(28)71-47)5-4-18-8-19(50)9-26(45(18,22)3)67-43-38(35(25(52)13-63-43)68-41-33(57)31(55)24(51)12-62-41)70-42-34(58)37(30(54)17(2)66-42)69-44-40(60)46(61,14-49)15-64-44/h4,16-17,19-20,22-26,28-31,33-44,48-55,57-61H,5-15H2,1-3H3

SMILES：

O1C2(C(C(C(C)CO2)O)O)C(CO)C2C1C(C1=C2CCC2C1CC=C1CC(CC(C21C)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(C(C)O1)O)OC1C(C(CO)(CO1)O)O)O)O)=O