Glycoside
GD033116
Name:
NoneFormula:
C19H18O6N4Smiles:
Nc1nc2c(c(-c3cc4ccccc4o3)cn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)C(c1cc3ccccc3o1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 398.38 | Num_heavy_atoms: | 29 |
| TPSA: | 159.76 | NumAromaticRings: | 4 |
Unique Aglycone
AD21165
Formula: C14H9O2N4
Smiles:
Nc1nc2c(c(=O)[nH]1)C(c1cc3ccccc3o1)=C[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 265.25 | Num_heavy_atoms: | 20 |
| TPSA: | 99.01 | NumAromaticRings: | 3 |
