Glycoside
GD014387
Name:
NoneFormula:
C22H20O5N6Cl2Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)Cc4ccc(Cl)cc4Cl)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(Cc1ccc(Cl)cc1Cl)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 495.32 | Num_heavy_atoms: | 33 |
| TPSA: | 151.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD10581
Formula: C15H8ON5Cl2
Smiles:
O=C(Cc1ccc(Cl)cc1Cl)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.15 | Num_heavy_atoms: | 21 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
