Glycoside
GD032135
Name:
NoneFormula:
C20H19O4N3Smiles:
Nc1ccnc2c1c(C#Cc1ccccc1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ccnc2c1C(C#Cc1ccccc1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 365.39 | Num_heavy_atoms: | 27 |
| TPSA: | 113.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD20634
Formula: C15H10N3
Smiles:
Nc1ccnc2c1C(C#Cc1ccccc1)=C[N]2| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 232.27 | Num_heavy_atoms: | 18 |
| TPSA: | 53.01 | NumAromaticRings: | 2 |
