Glycoside
GD071145
Name:
NoneFormula:
C16H16O7N4Smiles:
COC(=O)c1cc(=O)n2cnc3c(ncn3[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2c1Aglycone:
COC(=O)c1cc(=O)n2cnc3c(c2c1)N=C[N]3Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.33 | Num_heavy_atoms: | 27 |
| TPSA: | 148.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD33557
Formula: C11H7O3N4
Smiles:
COC(=O)c1cc(=O)n2cnc3c(c2c1)N=C[N]3| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 243.2 | Num_heavy_atoms: | 18 |
| TPSA: | 87.13 | NumAromaticRings: | 2 |
