Glycoside
GD036294
Name:
NoneFormula:
C20H21O4N3Smiles:
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: | 1.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.41 | Num_heavy_atoms: | 27 |
| TPSA: | 113.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD22908
Formula: C15H12N3
Smiles:
Nc1ccnc2c1C(C=Cc1ccccc1)=C[N]2| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.28 | Num_heavy_atoms: | 18 |
| TPSA: | 53.01 | NumAromaticRings: | 2 |
