手参苷VII(899430-07-0)名称与标识符
名称
英文别名:
gymnoside VII;[(2R)-2-[[6-O-Acetyl-3-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2-(2-methylpropyl)-1,4-dioxo-1,4-butanediyl]bis(oxymethylene-4,1-phenylene) bis[β-D-glucopyranoside] (ACI);β-D-Glucopyranoside, [(2R)-2-[[6-O-acetyl-3-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-β-D-glucopyranosyl]oxy]-2-(2-methylpropyl)-1,4-dioxo-1,4-butanediyl]bis(oxymethylene-4,1-phenylene) bis- (9CI);899430-07-0;Bis[[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2S)-2-[(2R,3S,4R,5S,6S)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate;
标识符
InChIKey:
VNORMJNLBQYATD-XIELJBMESA-N
Inchi:
1S/C51H64O24/c1-26(2)19-51(50(65)68-24-30-11-16-32(17-12-30)70-48-44(63)42(61)39(58)34(22-53)72-48,20-37(56)67-23-29-9-14-31(15-10-29)69-47-43(62)41(60)38(57)33(21-52)71-47)75-49-45(64)46(40(59)35(73-49)25-66-27(3)54)74-36(55)18-13-28-7-5-4-6-8-28/h4-18,26,33-35,38-49,52-53,57-64H,19-25H2,1-3H3/b18-13+/t33-,34-,35-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48-,49+,51-/m1/s1
SMILES:
[C@@](CC(C)C)(CC(=O)OCC1C=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC=1)(C(=O)OCC1C=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC=1)O[C@@H]1O[C@H](COC(=O)C)[C@@H](O)[C@H](OC(=O)/C=C/C2C=CC=CC=2)[C@H]1O