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(20S)-ginsenoside Rb2

MNXM18060 is deprecated and here replaced by MNXM731884
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731884 Image of MNXM731884
referencechebi:77152
formulaC53H90O22
global charge0
mol weight1079.281
InChIKeyNODILNFGTFIURN-GZPRDHCNSA-N
InChIInChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1
SMILESCC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1 Image of MNXM731884
SMILES (mnx)[CH3:1][C:23]([CH3:2])=[CH:10][CH2:9][CH2:14][C@@:53]([CH3:8])([C@H:24]1[CH2:11][CH2:16][C@:52]2([CH3:7])[C@@H:33]1[C@H:25]([OH:56])[CH2:18][C@@H:31]1[C@@:50]3([CH3:5])[CH2:15][CH2:13][C@H:32]([O:73][C@H:48]4[C@H:44]([O:74][C@H:46]5[C@H:42]([OH:66])[C@@H:38]([OH:62])[C@H:35]([OH:59])[C@@H:27]([CH2:19][OH:54])[O:70]5)[C@@H:40]([OH:64])[C@H:36]([OH:60])[C@@H:28]([CH2:20][OH:55])[O:71]4)[C:49]([CH3:3])([CH3:4])[C@@H:30]3[CH2:12][CH2:17][C@:51]12[CH3:6])[O:75][C@H:47]1[C@H:43]([OH:67])[C@@H:39]([OH:63])[C@H:37]([OH:61])[C@@H:29]([CH2:22][O:69][C@H:45]2[C@H:41]([OH:65])[C@@H:34]([OH:58])[C@@H:26]([OH:57])[CH2:21][O:68]2)[O:72]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77152
chebi:77152
NODILNFGTFIURN-GZPRDHCNSA-N 		(20S)-ginsenoside Rb2
(3beta,12beta)-20-{[6-O-(alpha-L-arabinopyranosyl)-beta-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Ginsenoside C
NSC 308878
ginsenoside Rb2

lipidmaps:LMPR0106080016
lipidmapsM:LMPR0106080016
NODILNFGTFIURN-GZPRDHCNSA-N 		Ginsenoside Rb2
(3beta,12beta)-20-[(6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Ginsenoside C

seed.compound:cpd32955
seedM:cpd32955
NODILNFGTFIURN-LZVUTTQCSA-N 		ginsenoside Rb2

metacyc.compound:CPD-15451
metacycM:CPD-15451
NODILNFGTFIURN-GZPRDHCNSA-N 		ginsenoside Rb2
(20S)-ginsenoside Rb2
20-[alpha-L-arabinopyranosyl-(1->2)-beta-D glucopyranosyloxy]-3beta-[beta-D-glucopyranosyl-(1->2)-beta-D glucopyranosyloxy]dammar-24-en-12beta-ol
ginsenoside C

seedM:M_cpd32955 		secondary/obsolete/fantasy identifier