Glycoside
GD051802
Name:
NoneFormula:
C15H18O6N2Smiles:
CCc1ccc(-c2nnc([C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)o2)cc1Aglycone:
CCc1ccc(-c2nnco2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.32 | Num_heavy_atoms: | 23 |
| TPSA: | 129.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD27018
Formula: C10H10ON2
Smiles:
CCc1ccc(-c2nnco2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.2 | Num_heavy_atoms: | 13 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
