Glycoside
GD003425
Name:
NoneFormula:
C11H14O5N4Smiles:
COc1ccc2nnc([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)n2n1Aglycone:
COc1ccc2nncn2n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.26 | Num_heavy_atoms: | 20 |
| TPSA: | 122.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD03117
Formula: C6H6ON4
Smiles:
COc1ccc2nncn2n1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.14 | Num_heavy_atoms: | 11 |
| TPSA: | 52.31 | NumAromaticRings: | 2 |
