PCIDB

KNApSAcK Metabolite C00049268

Metabolite

KNApSAcK Entry

id C00049268
Name Polygalasaponin XLIV / (+)-Polygalasaponin XLIV
CAS RN 202527-39-7
Standard InChI InChI=1S/C76H114O37/c1-30-58(109-63-53(91)48(86)41(28-101-63)107-65-54(92)49(87)45(83)38(25-77)104-65)52(90)57(95)64(102-30)111-61-60(110-66-55(93)50(88)46(84)39(26-78)105-66)59(108-44(82)15-11-32-10-13-36(99-8)37(22-32)100-9)31(2)103-68(61)113-70(98)75-19-18-71(3,4)23-34(75)33-12-14-42-72(5)24-35(81)62(112-67-56(94)51(89)47(85)40(27-79)106-67)74(7,69(96)97)43(72)16-17-73(42,6)76(33,29-80)21-20-75/h10-13,15,22,30-31,34-35,38-43,45-68,77-81,83-95H,14,16-21,23-29H2,1-9H3,(H,96,97)/b15-11+/t30-,31+,34-,35-,38+,39+,40+,41+,42+,43+,45-,46+,47+,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-,72+,73+,74-,75-,76-/m0/s1
Standard InChI (Main Layer) InChI=1S/C76H114O37/c1-30-58(109-63-53(91)48(86)41(28-101-63)107-65-54(92)49(87)45(83)38(25-77)104-65)52(90)57(95)64(102-30)111-61-60(110-66-55(93)50(88)46(84)39(26-78)105-66)59(108-44(82)15-11-32-10-13-36(99-8)37(22-32)100-9)31(2)103-68(61)113-70(98)75-19-18-71(3,4)23-34(75)33-12-14-42-72(5)24-35(81)62(112-67-56(94)51(89)47(85)40(27-79)106-67)74(7,69(96)97)43(72)16-17-73(42,6)76(33,29-80)21-20-75/h10-13,15,22,30-31,34-35,38-43,45-68,77-81,83-95H,14,16-21,23-29H2,1-9H3,(H,96,97)

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