Glycoside
GD001536
Name:
NoneFormula:
C24H28O6N6Smiles:
O=C(OCc1ccccc1)N1[C@H]2CC[C@@H]1C[C@H]2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=C(OCc1ccccc1)N1C2CCC1C(Nc1ncnc3c1N=C[N]3)C2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.52 | Num_heavy_atoms: | 36 |
| TPSA: | 155.09 | NumAromaticRings: | 3 |
Unique Aglycone
AD01532
Formula: C19H19O2N6
Smiles:
O=C(OCc1ccccc1)N1C2CCC1C(Nc1ncnc3c1N=C[N]3)C2| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 363.4 | Num_heavy_atoms: | 27 |
| TPSA: | 93.81 | NumAromaticRings: | 2 |
