Beta-D-glucan
IUPAC name: (2S,3R,4S,5S,6R)-2-[(2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-trio
CAS Number: 9041-22-9
Class: Polysacchride
Mushrooms contain this compound
14 mushrooms
| MushID | Thai name | Common name | Scientific name | Family |
|---|---|---|---|---|
| 2 | ถั่งเช่าทิเบต | caterpillar fungus | Cordyceps sinensis (Berk.) Sacc. | Ophiocordycipitaceae |
| 13 | เห็ดหอม | shiitake | Lentinus edodes (Berk.) Sing. | Marasmiaceae |
| 18 | เห็ดโคนปลวกจิก | - | Termitomyces clypeatus Heim. | Lyophyllaceae |
| 21 | เห็ดตีนแรด(ตับเต่าขาว) | - | Tricholoma crassum(Berk.)Sacc. | Tricholomataceae |
| 23 | เห็ดน้ำแป้ง | White-green netted red mushroom | Russula alboareolata Hongo | Russulaceae |
| 25 | เห็ดขอนขาว | - | Lentinus squarrosulus Mont. | Polyporaceae |
| 29 | เห็ดฟานน้ำตาลแดง | Frying milk cap | Lactarius volemus (Fr.) Fr. | Russulaceae |
| 30 | เห็ดมันปู | Chanterelle | Cantharellus cibarius Fr. | Cantharellaceae |
| 32 | เห็ดระโงกเหลือง | half-dyed slender Caesar | Amanita hemibapha (Berk. & Br.) Sacc. Subsp. Javanica Cor. & Bas. | Amanitaceae |
| 34 | เห็ดลม | flower mushrooms | Lentinus polychrous Lév. | Polyporaceae |
| 36 | เห็ดหน้าม่วง | Charcoal burner | Russula cyanoxantha (Schaeff.) Fr. | Russulaceae |
| 37 | เห็ดหล่มขาว | milk-white russula | Russula delica Fr. | Russulaceae |
| 40 | เห็ดถ่านเล็ก | crowded russula | Russula densifolia Secr. ex Gillet | Russulaceae |
| 45 | เห็ดระโงกขาว | - | Amanita princeps Corner & Bas. | Amanitaceae |
3D Structure
2D Structure
Compound Properties
SMILES
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)OPhysicochemical Properties
| Formula | C18H32O16 |
| Molecular wieght(g/mol) | 504.44 |
| Num. of Heavy atoms | 34 |
| Num. of Aromatic Heavy atoms | 0 |
| Fraction Csp3 | 1.00 |
| Num. of Rotatable bonds | 7 |
| Num. of H-bond acceptors | 16 |
| Num. of H-bonds donors | 11 |
| Molar Refractivity | 100.50 |
| TPSA (square Angstrom) | 268.68 |
Lipophilicity
| iLOGP | -0.20 |
| XLOGP3 | -6.88 |
| WLOGP | -7.57 |
| MLOGP | -6.15 |
| Silicos-IT LOGP | -6.49 |
| Consensus LOGP | -5.46 |
Water Solubility
| ESOL | |||||||
|---|---|---|---|---|---|---|---|
| LogS | 1.83 | Solubility(mg/ml) | 3.40E+04 | Solubility(mol/l) | 6.74E+01 | Class | Highly soluble |
| Ali | |||||||
| LogS | 1.95 | Solubility(mg/ml) | 4.45E+04 | Solubility(mol/l) | 8.83E+01 | Class | Highly soluble |
| Silicos-IT | |||||||
| LogS | 6.00 | Solubility(mg/ml) | 5.08E+08 | Solubility(mol/l) | 1.01E+06 | Class | Soluble |
Pharmacokinetics
| GI absorbtion | Low |
| BBB permeant | No |
| Pgp substrate | Yes |
| CYP1A2 inhibitor | No |
| CYP2C19 inhibitor | No |
| CYP2C9 inhibitor | No |
| CYP2D6 inhibitor | No |
| CYP3A4 inhibitor | No |
| Log Kp (skin permeation) (cm/s) | -14.26 |
Druglikeness
| Lipinski Num. violations | 3 |
| Ghose Num. violations | 2 |
| Veber Num. violations | 1 |
| Egan Num. violations | 1 |
| Muegge Num. violations | 4 |
| Bioavailability Score | 0.17 |
Medicinal Chemistry
| PAINS Num. of alerts | 0 |
| Brenk Num. of alerts | 0 |
| Leadlikeness Num. of violations | 1 |
| Synthetic Accessibility | 6.45 |
Biological Activity
| Biological Activity | JID |
|---|---|
| Antitumour | 12 |
| Antitumour | 43 |
| Antibacterial | 43 |
| Antioxidant | 19 |
| Antiviral | 19 |