Glycoside
GD040315
Name:
3-aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-d-mannopyranosideFormula:
C17H24O5N4Smiles:
NCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1n1cc(-c2ccccc2)nn1Aglycone:
C1=C(c2ccccc2)N=N[N]1.NCCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 364.4 | Num_heavy_atoms: | 26 |
| TPSA: | 135.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD03575
Formula: C3H9ON
Smiles:
NCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 75.11 | Num_heavy_atoms: | 5 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
AD04561
Formula: C8H6N3
Smiles:
C1=C(c2ccccc2)N=N[N]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.16 | Num_heavy_atoms: | 11 |
| TPSA: | 38.82 | NumAromaticRings: | 1 |
