Glycoside
GD004485
Name:
NoneFormula:
C23H22O4N4Smiles:
Nc1ncnc2c1c(-c1ccc3c4c(cccc14)CC3)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(c1ccc3c4c(cccc14)CC3)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.45 | Num_heavy_atoms: | 31 |
| TPSA: | 126.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD03911
Formula: C18H13N4
Smiles:
Nc1ncnc2c1C(c1ccc3c4c(cccc14)CC3)=C[N]2| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 285.33 | Num_heavy_atoms: | 22 |
| TPSA: | 65.9 | NumAromaticRings: | 3 |
