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(digitoxigenin-3beta-yl)-beta-D-glucoside

MNXM14610 is deprecated and here replaced by MNXM1371153
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371153 Image of MNXM1371153
referencemetacycM:CPD-10536
formulaC29H44O9
global charge0
mol weight536.662
InChIKeyCMHWMOGWFZWDMR-FVGBAMMESA-N
InChIInChI=1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1
SMILESC[C@]12CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
MNX internals
InChI (mnx)InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1 Image of MNXM1371153
SMILES (mnx)[CH3:1][C@:27]12[CH2:8][CH2:5][C@H:17]([O:37][C@H:26]3[C@H:25]([OH:34])[C@@H:24]([OH:33])[C@H:23]([OH:32])[C@@H:21]([CH2:13][OH:30])[O:38]3)[CH2:12][C@H:16]1[CH2:3][CH2:4][C@@H:20]1[C@@H:19]2[CH2:6][CH2:9][C@:28]2([CH3:2])[C@@H:18]([C:15]3=[CH:11][C:22](=[O:31])[O:36][CH2:14]3)[CH2:7][CH2:10][C@:29]12[OH:35]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-10536
metacycM:CPD-10536
CMHWMOGWFZWDMR-FVGBAMMESA-N 		(digitoxigenin-3beta-yl)-beta-D-glucoside
digitoxigenin 3-O-beta-D-glucoside
digitoxigenin glucoside
digitoxigenin-beta-d-glucoside
glucodigitoxigenin