PCIDB

KNApSAcK Metabolite C00034164

Metabolite

KNApSAcK Entry

id C00034164
Name Polygalasaponin XLIX / (-)-Polygalasaponin XLIX
CAS RN 1033593-12-2
Standard InChI InChI=1S/C64H102O34/c1-24-46(95-50-42(78)37(73)31(20-87-50)94-55-48(82)64(86,23-89-55)22-88-51-43(79)38(74)34(70)28(17-65)91-51)41(77)45(81)52(90-24)96-47-40(76)36(72)30(19-67)93-54(47)98-57(85)62-12-11-58(2,3)15-26(62)25-7-8-32-59(4)16-27(69)49(97-53-44(80)39(75)35(71)29(18-66)92-53)61(6,56(83)84)33(59)9-10-60(32,5)63(25,21-68)14-13-62/h7,24,26-55,65-82,86H,8-23H2,1-6H3,(H,83,84)/t24-,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-,59+,60+,61-,62-,63-,64+/m0/s1
Standard InChI (Main Layer) InChI=1S/C64H102O34/c1-24-46(95-50-42(78)37(73)31(20-87-50)94-55-48(82)64(86,23-89-55)22-88-51-43(79)38(74)34(70)28(17-65)91-51)41(77)45(81)52(90-24)96-47-40(76)36(72)30(19-67)93-54(47)98-57(85)62-12-11-58(2,3)15-26(62)25-7-8-32-59(4)16-27(69)49(97-53-44(80)39(75)35(71)29(18-66)92-53)61(6,56(83)84)33(59)9-10-60(32,5)63(25,21-68)14-13-62/h7,24,26-55,65-82,86H,8-23H2,1-6H3,(H,83,84)

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 japonica 690795 Polygalaceae rosids Viridiplantae