Glycoside
GD089191
Name:
NoneFormula:
C19H21O7N5Smiles:
Cc1cccc(OCC(=O)Nc2nc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)[nH]2)c1Aglycone:
Cc1cccc(OCC(=O)Nc2nc3c(c(=O)[nH]2)N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.41 | Num_heavy_atoms: | 31 |
| TPSA: | 171.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD38924
Formula: C14H12O3N5
Smiles:
Cc1cccc(OCC(=O)Nc2nc3c(c(=O)[nH]2)N=C[N]3)c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.28 | Num_heavy_atoms: | 22 |
| TPSA: | 110.54 | NumAromaticRings: | 2 |
