Glycoside
GD050744
Name:
NoneFormula:
C15H19O5N3Smiles:
N#CC1(c2ccc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nc2)CC1Aglycone:
N#CC1(c2ccc(N)nc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 321.33 | Num_heavy_atoms: | 23 |
| TPSA: | 138.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD26716
Formula: C9H9N3
Smiles:
N#CC1(c2ccc(N)nc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.19 | Num_heavy_atoms: | 12 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
