Glycoside
GD048990
Name:
NoneFormula:
C12H16O7N2Smiles:
COc1ccnc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1Aglycone:
COc1ccnc(N)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 300.27 | Num_heavy_atoms: | 21 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD25023
Formula: C6H8ON2
Smiles:
COc1ccnc(N)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 48.14 | NumAromaticRings: | 1 |
