3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone (Q27136279)

PROSAPOGENIN 4 (English)

HCPJVMUCDGEUPL-XHQQSDJSSA-N

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

HCPJVMUCDGEUPL-XSAUIWSVSA-N

inferred from InChI

2 references

inferred from InChIKey

3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone

inferred from InChI

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₄₈H₇₅NO₁₇

1 reference

PROSAPOGENIN 4 (English)

7 October 2016

canonical SMILES

CC(=O)NC1C(C(C(OC1OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CC(C67C5CC(C(C6)OC7=O)(C)C)O)C)C)C)COC8C(C(C(CO8)O)O)OC9C(C(C(CO9)O)O)O)O)O

1 reference

PROSAPOGENIN 4 (English)

7 October 2016

isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]4([C@@H]3CC=C5[C@]4(C[C@H]([C@]67[C@H]5CC([C@H](C6)OC7=O)(C)C)O)C)C)C)CO[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O

1 reference

Cytotoxic glycosides from Albizia julibrissin

PROSAPOGENIN 4 (English)

7 October 2016

1 reference

Albizia inundata

1 reference

stated in

Cytotoxic oleanane-type saponins from Albizia inundata

Senegalia rugata

1 reference

stated in

Acacia concinna saponins. I. Structures of prosapogenols, concinnosides A-F, isolated from the alkaline hydrolysate of the highly polar saponin fraction

Identifiers

InChI

InChI=1S/C48H75NO17/c1-21(50)49-32-36(57)35(56)26(20-62-41-38(34(55)25(52)19-61-41)66-40-37(58)33(54)24(51)18-60-40)63-39(32)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-22-23-15-43(2,3)31-17-48(23,42(59)65-31)29(53)16-47(22,46)8/h9,23-41,51-58H,10-20H2,1-8H3,(H,49,50)/t23-,24+,25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48+/m0/s1

1 reference

PROSAPOGENIN 4 (English)

HCPJVMUCDGEUPL-PYRSKJNPSA-N

7 October 2016

InChIKey

2 references

PROSAPOGENIN 4 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,16alpha,21beta)-16-Hydroxy-28-oxo-21,28-epoxyolean-12-en-3-yl beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranoside (English)

7 October 2016

2 references