| IPAD-DB ID | C00834 |
| Name | Resveratrol diglucoside |
| Category | Natural compounds |
| 2D Structure |
|
| 3D Structure | |
| Molecular Formula | - |
| Molecular Weight | - |
| IUPAC Name | (E)-4-(3-hydroxy-5-(2-hydroxyacetoxy)styryl)phenyl 2-hydroxyacetate |
| InChI | InChI=1S/C18H16O7/c19-10-17(22)24-15-5-3-12(4-6-15)1-2-13-7-14(21)9-16(8-13)25-18(23)11-20/h1-9, 19-21H, 10-11H2/b2-1+ |
| InChIKey | IUFDIOUYEPNXOG-OWOJBTEDSA-N |
| Canonical SMILES | OC1=CC(OC(CO)=O)=CC(/C=C/C2=CC=C(C([H])=C2)OC(CO)=O)=C1 |
| PubChem CID | - |
| DrugBank Accession Number | - |
| CAS Registry Number | - |
| Molecular Weight(Computed by SwissADME) | 344.32 |
| Hac(Computed by SwissADME) | 25 |
| Volume(Computed by ADMETlab 2.0) | 340.575 |
| Density(Computed by ADMETlab 2.0) | 1.01 |
| nRing(Computed by ADMETlab 2.0) | 2 |
| MaxRing(Computed by ADMETlab 2.0) | 6 |
| nHet(Computed by ADMETlab 2.0) | 7 |
| fChar(Computed by ADMETlab 2.0) | 0 |
| nRig(Computed by ADMETlab 2.0) | 15 |
| Flexibility(Computed by ADMETlab 2.0) | 0.533 |
| Stero Centers(Computed by ADMETlab 2.0) | 0 |
| LogS(Computed by ADMETlab 2.0) | -3.734 |
| LogD(Computed by ADMETlab 2.0) | 1.824 |
| logP(Computed by ADMETlab 2.0) | 1.36 |
| TPSA(Computed by SwissADME) | 113.29 Ų |
| Hbond Acceptor(Computed by SwissADME) | 7 |
| Hbond Donor(Computed by SwissADME) | 3 |
| Rotatable Bonds(Computed by SwissADME) | 8 |
| GI Absorption(Computed by SwissADME) | High |
| BBB(blood-brain barrier) Permeant(Computed by SwissADME) | No |
| P-gp Substrate(Computed by SwissADME) | No |
| CYP1A2 Inhibitor(Computed by SwissADME) | No |
| CYP2C19 Inhibitor(Computed by SwissADME) | No |
| CYP2C9 Inhibitor(Computed by SwissADME) | No |
| CYP2D6 Inhibitor(Computed by SwissADME) | No |
| CYP3A4 Inhibitor(Computed by SwissADME) | No |
| log Kp(Skin Permeation)(Computed by SwissADME) | -6.96 cm/s |
| Lipinski(Computed by SwissADME) | Yes, 0 violation |
| Ghose(Computed by SwissADME) | Yes |
| Veber(Computed by SwissADME) | Yes |
| Egan(Computed by SwissADME) | Yes |
| Muegge(Computed by SwissADME) | Yes |
| Bioavailability Score(Computed by SwissADME) | 0.55 |