Glycoside
GD004997
Name:
NoneFormula:
C23H25O7N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4[N+](=O)[O-])nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CCNc1nc(C#CC(O)c2ccccc2[N+](=O)[O-])nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 511.5 | Num_heavy_atoms: | 37 |
| TPSA: | 197.79 | 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 |
AD04285
Formula: C16H13O3N6
Smiles:
CCNc1nc(C#CC(O)c2ccccc2[N+](=O)[O-])nc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 337.32 | Num_heavy_atoms: | 25 |
| TPSA: | 127.64 | NumAromaticRings: | 2 |
