Glycoside
GD031828
Name:
NoneFormula:
C20H19O6N7Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#Cc4ccc([N+](=O)[O-])cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(C#Cc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 453.42 | Num_heavy_atoms: | 33 |
| TPSA: | 191.55 | 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 |
AD20477
Formula: C13H7O2N6
Smiles:
Nc1nc(C#Cc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 279.24 | Num_heavy_atoms: | 21 |
| TPSA: | 121.4 | NumAromaticRings: | 2 |
