Glycoside
GD005254
Name:
NoneFormula:
C26H24O10N10Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N(C(=O)Nc4ccc([N+](=O)[O-])cc4)C(=O)Nc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(Nc1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.54 | Num_heavy_atoms: | 46 |
| TPSA: | 270.11 | NumAromaticRings: | 4 |
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 |
AD04492
Formula: C19H12O6N9
Smiles:
O=C(Nc1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ncnc2c1N=C[N]2| HBA: | 15 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.36 | Num_heavy_atoms: | 34 |
| TPSA: | 199.96 | NumAromaticRings: | 3 |
