Glycoside
GD009752
Name:
NoneFormula:
C13H17O4N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC)nc(N=[N+]=[N-])nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CNc1nc(N=[N+]=[N-])nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 363.34 | Num_heavy_atoms: | 26 |
| TPSA: | 183.18 | NumAromaticRings: | 2 |
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 |
AD07621
Formula: C6H5N8
Smiles:
CNc1nc(N=[N+]=[N-])nc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 189.16 | Num_heavy_atoms: | 14 |
| TPSA: | 113.03 | NumAromaticRings: | 1 |
