Glycoside
GD073616
Name:
NoneFormula:
C17H18O8N2Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(N2C(=O)C=CC2=O)cc1Aglycone:
NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 378.34 | Num_heavy_atoms: | 27 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD34102
Formula: C11H8O3N2
Smiles:
NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 216.2 | Num_heavy_atoms: | 16 |
| TPSA: | 80.47 | NumAromaticRings: | 1 |
