Glycoside
GD012380
Name:
NoneFormula:
C25H22O5N6Smiles:
O=C1c2ccccc2C(=O)N1C[C@@H]1OC(n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1.CN1C(=O)c2ccccc2C1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.49 | Num_heavy_atoms: | 36 |
| TPSA: | 142.7 | NumAromaticRings: | 4 |
Unique Aglycone
AD01429
Formula: C12H10N5
Smiles:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD04519
Formula: C9H7O2N
Smiles:
CN1C(=O)c2ccccc2C1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 37.38 | NumAromaticRings: | 1 |
