Glycoside
GD032803
Name:
NoneFormula:
C15H17O8N4Smiles:
O=C([O-])c1cncc(-n2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1Aglycone:
O=C([O-])c1cncc(-n2cc(CO)nn2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -3.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 381.32 | Num_heavy_atoms: | 27 |
| TPSA: | 183.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD20989
Formula: C9H7O3N4
Smiles:
O=C([O-])c1cncc(-n2cc(CO)nn2)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 219.18 | Num_heavy_atoms: | 16 |
| TPSA: | 103.96 | NumAromaticRings: | 2 |
