PCIDB

KNApSAcK Metabolite C00049267

Metabolite

KNApSAcK Entry

id C00049267
Name Polygalasaponin XLIII / (+)-Polygalasaponin XLIII
CAS RN 202527-38-6
Standard InChI InChI=1S/C74H110O35/c1-30-56(105-62-52(89)47(84)40(28-98-62)103-64-53(90)48(85)45(82)38(25-75)101-64)50(87)55(92)63(99-30)107-59-58(106-61-51(88)44(81)37(79)27-97-61)57(104-43(80)16-11-32-9-12-33(96-8)13-10-32)31(2)100-66(59)109-68(95)73-20-19-69(3,4)23-35(73)34-14-15-41-70(5)24-36(78)60(108-65-54(91)49(86)46(83)39(26-76)102-65)72(7,67(93)94)42(70)17-18-71(41,6)74(34,29-77)22-21-73/h9-14,16,30-31,35-42,44-66,75-79,81-92H,15,17-29H2,1-8H3,(H,93,94)/b16-11+/t30-,31+,35-,36-,37-,38+,39+,40+,41+,42+,44-,45-,46+,47-,48-,49-,50-,51+,52+,53+,54+,55+,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,66-,70+,71+,72-,73-,74-/m0/s1
Standard InChI (Main Layer) InChI=1S/C74H110O35/c1-30-56(105-62-52(89)47(84)40(28-98-62)103-64-53(90)48(85)45(82)38(25-75)101-64)50(87)55(92)63(99-30)107-59-58(106-61-51(88)44(81)37(79)27-97-61)57(104-43(80)16-11-32-9-12-33(96-8)13-10-32)31(2)100-66(59)109-68(95)73-20-19-69(3,4)23-35(73)34-14-15-41-70(5)24-36(78)60(108-65-54(91)49(86)46(83)39(26-76)102-65)72(7,67(93)94)42(70)17-18-71(41,6)74(34,29-77)22-21-73/h9-14,16,30-31,35-42,44-66,75-79,81-92H,15,17-29H2,1-8H3,(H,93,94)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Polygalaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Polygala glomerata 4275 Polygalaceae rosids Viridiplantae