CAS: 117230-33-8 - Soyasaponin Aa
Fórmula:C64H100O31
InChI:InChI=1S/C64H100O31/c1-25(68)85-33-23-84-56(50(87-27(3)70)46(33)86-26(2)69)91-45-30(71)22-83-54(44(45)79)95-52-51(80)59(4,5)19-29-28-11-12-35-61(7)15-14-36(62(8,24-67)34(61)13-16-64(35,10)63(28,9)18-17-60(29,52)6)90-58-49(42(77)41(76)47(92-58)53(81)82)94-57-48(40(75)38(73)32(21-66)89-57)93-55-43(78)39(74)37(72)31(20-65)88-55/h11,29-52,54-58,65-67,71-80H,12-24H2,1-10H3,(H,81,82)/t29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-,40-,41-,42-,43+,44+,45-,46-,47-,48+,49+,50+,51-,52+,54-,55-,56-,57-,58+,60+,61-,62+,63+,64+/m0/s1
Chave InChI:InChIKey=KBGJRGWLUHSDLW-HCOXMXEYSA-N
SMILES:O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)C(O)C(OC7OCC(O)C(OC8OCC(OC(=O)C)C(OC(=O)C)C8OC(=O)C)C7O)C6(C)CCC54C)C2(C)CO)C(OC9OC(CO)C(O)C(O)C9OC%10OC(CO)C(O)C(O)C%10O)C(O)C1O
- Sinónimos:
- (3β,4β,21β,22β)-21,23-Dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-β-D-glucopyranosiduronic acid
- Soyasaponin Aa
- Acetylsoyasaponin A4
- β-D-Glucopyranosiduronic acid, (3β,4β,21β,22β)-21,23-dihydroxy-22-[[3-O-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-
