Glycoside
GD022121
Name:
NoneFormula:
C21H19O5N7Cl2Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(Nc1cccc(Cl)c1)Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.31 | Num_heavy_atoms: | 33 |
| TPSA: | 163.52 | 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 |
AD15031
Formula: C14H7ON6Cl2
Smiles:
O=C(Nc1cccc(Cl)c1)Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.14 | Num_heavy_atoms: | 21 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
