Glycoside
GD085145
Name:
NoneFormula:
C21H25O5N4Smiles:
N#Cc1c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[nH+]cc2c1N(Cc1ccccc1)CC2Aglycone:
N#Cc1c(N)[nH+]cc2c1N(Cc1ccccc1)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 413.45 | Num_heavy_atoms: | 30 |
| TPSA: | 143.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD38092
Formula: C15H15N4
Smiles:
N#Cc1c(N)[nH+]cc2c1N(Cc1ccccc1)CC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.31 | Num_heavy_atoms: | 19 |
| TPSA: | 67.19 | NumAromaticRings: | 2 |
