商陆皂苷H(66656-92-6)名称与标识符
名称
英文别名:
esculentoside H;LogP;3-O-(O-beta-D-glucopyranosyl-(1→4)-beta-D-xylopyranosyl)-28-beta-D-glucopyranosylphytolaccagenin;2-O-Methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8;CS-0019511;AKOS037515095;MS-31843;A918275;28-beta-D-Glucopyranosyl 29-methyl (2beta,3beta,4alpha,20beta)-3-[(4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy]-2,23-dihydroxyolean-12-ene-28,29-dioate;NS00093713;DTXSID701101662;66656-92-6;HY-N2205;EsculentosideH;Olean-12-ene-28,29-dioic acid, 3-((4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy)-2,23-dihydroxy-, 28-beta-D-glucopyranosyl 29-methyl ester, (2beta,3beta,4alpha,20beta)-;3-O-(beta-D-Glucopyranosyl-(1-4)-beta-D-xylopyranosyl)-28-O-beta-D-glucopyranosylphytolaccagenin;FT-0775788;28-I(2)-D-Glucopyranosyl 29-methyl (2I(2),3I(2),4I+/-,20I(2))-3-[(4-O-I(2)-D-glucopyranosyl-I(2)-D-xylopyranosyl)oxy]-2,23-dihydroxyolean-12-ene-28,29-dioate;DA-63282;
标识符
InChIKey:
UQCUBQIHIKJPHI-PMUXBYKWSA-N
Inchi:
1S/C48H76O21/c1-43(41(61)63-6)11-13-48(42(62)69-40-36(60)33(57)30(54)25(18-50)66-40)14-12-46(4)21(22(48)15-43)7-8-28-44(2)16-23(52)37(45(3,20-51)27(44)9-10-47(28,46)5)68-38-34(58)31(55)26(19-64-38)67-39-35(59)32(56)29(53)24(17-49)65-39/h7,22-40,49-60H,8-20H2,1-6H3/t22-,23-,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,43-,44-,45-,46+,47+,48-/m0/s1
SMILES:
O([C@H]1[C@@H]([C@H]([C@@H](CO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)[C@H]1[C@H](C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O)O)CC[C@@](C(=O)OC)(C)C[C@H]5C4=CC[C@@H]32)[C@]1(C)CO)O