Glycoside
GD002680
Name:
NoneFormula:
C16H18O8N3Smiles:
O=C([O-])c1cccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1Aglycone:
O=C([O-])c1cccc(-n2cc(CO)nn2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 380.33 | Num_heavy_atoms: | 27 |
| TPSA: | 170.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD02528
Formula: C10H8O3N3
Smiles:
O=C([O-])c1cccc(-n2cc(CO)nn2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.19 | Num_heavy_atoms: | 16 |
| TPSA: | 91.07 | NumAromaticRings: | 2 |
