Glycoside
GD037221
Name:
NoneFormula:
C17H21O8N3Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(-c3ccc(C(=O)O)cc3)nn2)[C@H]1OAglycone:
O=C(O)c1ccc(-n2cc(CO)nn2)cc1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.37 | Num_heavy_atoms: | 28 |
| TPSA: | 156.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD06618
Formula: C10H9O3N3
Smiles:
O=C(O)c1ccc(-n2cc(CO)nn2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 219.2 | Num_heavy_atoms: | 16 |
| TPSA: | 88.24 | NumAromaticRings: | 2 |
