Try beta.chemspider
- Charge
- 10 of 10 defined stereocentres
2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-({6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-5-chromeniumyl 4,6-bis-O-(carboxyacetyl)-beta-D-glucopyranoside
OC(=O)CC(=O)OC[C@H]1O[C@@H](OC2C=C(O)C=C3[O+]=C(C(=CC=23)O[C@@H]2O[C@H](COC(=O)/C=C/C3C=CC(O)=CC=3)[C@@H](O)[C@H](O)[C@H]2O)C2C=C(O)C(O)=CC=2)[C@H](O)[C@@H](O)[C@@H]1OC(=O)CC(O)=O
InChI=1S/C42H40O24/c43-19-5-1-17(2-6-19)3-8-31(51)59-15-27-34(54)35(55)37(57)41(64-27)63-26-12-21-24(61-39(26)18-4-7-22(45)23(46)9-18)10-20(44)11-25(21)62-42-38(58)36(56)40(66-33(53)14-30(49)50)28(65-42)16-60-32(52)13-29(47)48/h1-12,27-28,34-38,40-42,54-58H,13-16H2,(H5-,43,44,45,46,47,48,49,50,51)/p+1/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1
JJJMVXFRCMSVEA-QBMVVDGVSA-O
CSID:115268998, http://www.chemspider.com/Chemical-Structure.115268998.html (accessed 17:42, Jun 10, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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