Glycoside
GD032417
Name:
NoneFormula:
C18H23O4N3Smiles:
Nc1ccnc2c1c(C1=CCCCC1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ccnc2c1C(C1=CCCCC1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 345.4 | Num_heavy_atoms: | 25 |
| TPSA: | 113.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD20794
Formula: C13H14N3
Smiles:
Nc1ccnc2c1C(C1=CCCCC1)=C[N]2| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.28 | Num_heavy_atoms: | 16 |
| TPSA: | 53.01 | NumAromaticRings: | 1 |
