Glycoside
GD020313
Name:
NoneFormula:
C19H22O5N8Smiles:
CNC(=O)NC[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)NC.O=C(Nc1ccccc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.44 | Num_heavy_atoms: | 32 |
| TPSA: | 175.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD01593
Formula: C3H8ON2
Smiles:
CNC(=O)NC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
AD01594
Formula: C12H9ON6
Smiles:
O=C(Nc1ccccc1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 253.24 | Num_heavy_atoms: | 19 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
