Glycoside
GD013201
Name:
NoneFormula:
C20H21O9NSmiles:
O=C(CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1O)c1ccccn1Aglycone:
O=C(CC(=O)c1ccc(O)cc1O)c1ccccn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 419.39 | Num_heavy_atoms: | 30 |
| TPSA: | 166.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD09879
Formula: C14H11O4N
Smiles:
O=C(CC(=O)c1ccc(O)cc1O)c1ccccn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.25 | Num_heavy_atoms: | 19 |
| TPSA: | 87.49 | NumAromaticRings: | 2 |
