input word = C00062680

Metabolite InformationStructural formula
Name (3beta,5alpha,22alpha,25S)-26-(beta-D-Glucopyranosyloxy)-22-methoxyfurostan-3-yl O-beta-D-xylopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-O-beta-D-glucopyranosyl-(1->4)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-galactopyranoside
Formula C62H104O31
Mw 1344.65615661
CAS RN 681261-04-1
C_ID C00062680
InChIKey YHVNCBGBSMUHPF-PTRDKUNWSA-N
InChICode InChI=1S/C62H104O31/c1-23(20-81-54-47(77)44(74)41(71)34(17-63)86-54)9-14-62(80-6)24(2)37-33(93-62)16-30-28-8-7-26-15-27(10-12-60(26,4)29(28)11-13-61(30,37)5)85-58-52(91-57-48(78)43(73)38(68)25(3)84-57)49(79)50(36(19-65)88-58)89-59-53(92-56-46(76)40(70)32(67)22-83-56)51(42(72)35(18-64)87-59)90-55-45(75)39(69)31(66)21-82-55/h23-59,63-79H,7-22H2,1-6H3/t23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44-,45+,46+,47+,48+,49-,50-,51-,52+,53+,54+,55-,56-,57-,58+,59-,60-,61-,62+/m0/s1
SMILES COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
zoom in