Glycoside
GD022217
Name:
NoneFormula:
C26H25O6N7Smiles:
CNC(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1Aglycone:
CNC(=O)NC.Nc1ncnc2c1N=C[N]2.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 531.53 | Num_heavy_atoms: | 39 |
| TPSA: | 172.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
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 |
