Search MNXref
 Feedback

solanidine 3-O-beta-D-glucopyranoside

MNXM164596 is deprecated and here replaced by MNXM1107942
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107942 Image of MNXM1107942
referencechebi:166997
formulaC33H54NO6
global charge1
mol weight560.796
InChIKeyIDGKMGZVTKHZDA-OSCYGWHCSA-O
InChIInChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/p+1/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1
SMILESC[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)[NH+]2C1
MNX internals
InChI (mnx)InChI=1/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1 Image of MNXM1107942
SMILES (mnx)[CH3:1][C@H:17]1[CH2:5][CH2:8][C@@H:24]2[C@@H:18]([CH3:2])[C@H:27]3[C@H:25]([CH2:14][C@H:23]4[C@@H:21]5[CH2:7][CH:6]=[C:19]6[CH2:13][C@@H:20]([O:39][C@H:31]7[C@H:30]([OH:38])[C@@H:29]([OH:37])[C@H:28]([OH:36])[C@@H:26]([CH2:16][OH:35])[O:40]7)[CH2:9][CH2:11][C@:32]6([CH3:3])[C@H:22]5[CH2:10][CH2:12][C@@:33]43[CH3:4])[N:34]2[CH2:15]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166997
chebi:166997
IDGKMGZVTKHZDA-OSCYGWHCSA-O 		solanidine 3-O-beta-D-glucopyranoside
gamma-chaconine(1+)
solanidine 3-O-beta-D-glucopyranoside(1+)

seed.compound:cpd25609
seedM:cpd25609
IDGKMGZVTKHZDA-OSCYGWHCSA-O 		beta-D-Glucopyranoside, (3beta)-solanid-5-en-3-yl
gamma-chaconine

CHEBI:176052
chebi:176052
IDGKMGZVTKHZDA-OSCYGWHCSA-N 		gamma-Chaconine
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxane-3,4,5-triol

metacyc.compound:CPD-9216
metacycM:CPD-9216
IDGKMGZVTKHZDA-OSCYGWHCSA-O 		gamma-chaconine
beta-D-glucosyl-solanidine

seedM:M_cpd25609 		secondary/obsolete/fantasy identifier