Glycoside
GD038748
Name:
(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triolFormula:
C20H21O5N3Smiles:
OC[C@H]1O[C@H](c2nnc(-c3ccc(-c4ccccc4)cc3)[nH]2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
c1ccc(-c2ccc(-c3nnc[nH]3)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 383.4 | Num_heavy_atoms: | 28 |
| TPSA: | 131.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD24122
Formula: C14H11N3
Smiles:
c1ccc(-c2ccc(-c3nnc[nH]3)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 221.26 | Num_heavy_atoms: | 17 |
| TPSA: | 41.57 | NumAromaticRings: | 3 |
