Glycoside
GD027877
Name:
NoneFormula:
C19H25O9N3Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn([C@H](Cc3ccc(O)cc3)C(=O)O)nn2)[C@H]1OAglycone:
O=C(O)C(Cc1ccc(O)cc1)n1cc(CO)nn1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 439.42 | Num_heavy_atoms: | 31 |
| TPSA: | 176.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD10697
Formula: C12H13O4N3
Smiles:
O=C(O)C(Cc1ccc(O)cc1)n1cc(CO)nn1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 263.25 | Num_heavy_atoms: | 19 |
| TPSA: | 108.47 | NumAromaticRings: | 2 |
