Glycoside
GD015340
Name:
NoneFormula:
C17H20O7N10Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NNC(=O)c4nc([N+](=O)[O-])cn4C)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Cn1cc([N+](=O)[O-])nc1C(=O)NNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.41 | Num_heavy_atoms: | 34 |
| TPSA: | 224.48 | 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 |
AD11159
Formula: C10H8O3N9
Smiles:
Cn1cc([N+](=O)[O-])nc1C(=O)NNc1ncnc2c1N=C[N]2| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.23 | Num_heavy_atoms: | 22 |
| TPSA: | 154.33 | NumAromaticRings: | 2 |
