Glycoside
GD090582
Name:
NoneFormula:
C21H25O5N5Smiles:
OC[C@H]1O[C@@H](n2ccc3c(Nc4ccc(CN5CC(O)C5)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
OC1CN(Cc2ccc(Nc3ncnc4c3C=C[N]4)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.46 | Num_heavy_atoms: | 31 |
| TPSA: | 136.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD39403
Formula: C16H16ON5
Smiles:
OC1CN(Cc2ccc(Nc3ncnc4c3C=C[N]4)cc2)C1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 294.34 | Num_heavy_atoms: | 22 |
| TPSA: | 75.38 | NumAromaticRings: | 2 |
