Glycoside
GD051814
Name:
NoneFormula:
C14H16O6N2Smiles:
Cc1cccc(-c2nnc([C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)o2)c1Aglycone:
Cc1cccc(-c2nnco2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.29 | Num_heavy_atoms: | 22 |
| TPSA: | 129.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD27020
Formula: C9H8ON2
Smiles:
Cc1cccc(-c2nnco2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.18 | Num_heavy_atoms: | 12 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
