PCIDB

KNApSAcK Metabolite C00049269

Metabolite

KNApSAcK Entry

id C00049269
Name Polygalasaponin XLV / (+)-Polygalasaponin XLV
CAS RN 202527-40-0
Standard InChI InChI=1S/C78H116O38/c1-31-60(112-65-55(93)50(88)43(29-104-65)109-67-56(94)51(89)47(85)40(26-79)107-67)54(92)59(97)66(105-31)114-63-62(113-68-57(95)53(91)49(87)42(110-68)28-103-33(3)82)61(111-46(84)16-12-34-11-14-38(101-9)39(23-34)102-10)32(2)106-70(63)116-72(100)77-20-19-73(4,5)24-36(77)35-13-15-44-74(6)25-37(83)64(115-69-58(96)52(90)48(86)41(27-80)108-69)76(8,71(98)99)45(74)17-18-75(44,7)78(35,30-81)22-21-77/h11-14,16,23,31-32,36-37,40-45,47-70,79-81,83,85-97H,15,17-22,24-30H2,1-10H3,(H,98,99)/b16-12+/t31-,32+,36-,37-,40+,41+,42+,43+,44+,45+,47-,48+,49+,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-,74+,75+,76-,77-,78-/m0/s1
Standard InChI (Main Layer) InChI=1S/C78H116O38/c1-31-60(112-65-55(93)50(88)43(29-104-65)109-67-56(94)51(89)47(85)40(26-79)107-67)54(92)59(97)66(105-31)114-63-62(113-68-57(95)53(91)49(87)42(110-68)28-103-33(3)82)61(111-46(84)16-12-34-11-14-38(101-9)39(23-34)102-10)32(2)106-70(63)116-72(100)77-20-19-73(4,5)24-36(77)35-13-15-44-74(6)25-37(83)64(115-69-58(96)52(90)48(86)41(27-80)108-69)76(8,71(98)99)45(74)17-18-75(44,7)78(35,30-81)22-21-77/h11-14,16,23,31-32,36-37,40-45,47-70,79-81,83,85-97H,15,17-22,24-30H2,1-10H3,(H,98,99)

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