PCIDB

KNApSAcK Metabolite C00030141

Metabolite

KNApSAcK Entry

id C00030141
Name Polyphyllin A / Melongoside B / Prosapogenin D'3 / Polygonatoside A / Diosgenin 3-O-beta-D-glucopyranoside
CAS RN 14144-06-0
Standard InChI InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1
Standard InChI (Main Layer) InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 1025

Link

ChEMBL

By standard InChI CHEMBL395414
By standard InChI Main Layer CHEMBL395414

KEGG

By LinkDB

CTD

By CAS RN C051985