D(+)-Glucose
IUPAC NAme: -
CAS Number: 50-99-7
Class: -
Plants contain this compound
2 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 13 |
กระดึงช้างเผือก |
- |
Trichosanthes tricuspidata Lour. var. tricuspidata |
Cucurbitaceae |
| 64 |
เทียนแดง |
- |
Lepidium sativum L. |
Brassicaceae |
| 64 |
เทียนแดง |
- |
Lepidium sativum L. |
Cruciferae |
2D Structure
Compound Properties
Smile
OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O
Physicochemical Properties
| Formula |
C6H12O6 |
| Molecular wieght(g/mol) |
180.16 |
| Num. of Heavy atoms |
12 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.83 |
| Num. of Rotatable bonds |
5 |
| Num. of H-bond acceptors |
6 |
| Num. of H-bonds donors |
5 |
| Molar Refractivity |
36.96 |
| TPSA (square Angstrom) |
118.22 |
Lipophilicity
| iLOGP |
0.18 |
| XLOGP3 |
-2.94 |
| WLOGP |
-3.38 |
| MLOGP |
-2.91 |
| Silicos-IT LOGP |
-1.60 |
| Consensus LOGP |
-2.13 |
Water Solubility
| ESOL |
|
| LogS |
1.23 |
Solubility(mg/ml) |
3.03E+03 |
Solubility(mol/l) |
1.68E+01 |
Class |
Highly soluble |
| Ali |
|
| LogS |
1.02 |
Solubility(mg/ml) |
1.87E+03 |
Solubility(mol/l) |
1.04E+01 |
Class |
Highly soluble |
| Silicos-IT |
|
| LogS |
2.45 |
Solubility(mg/ml) |
5.05E+04 |
Solubility(mol/l) |
2.81E+02 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
Low |
| BBB permeant |
No |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-9.49 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
2 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
2 |
| Bioavailability Score |
0.55 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
1 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
3.31 |
