Glycoside
GD033496
Name:
NoneFormula:
C20H20O7N2Smiles:
O=C(N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cc(-c2ccc3ccccc3c2)no1Aglycone:
NC(=O)c1cc(-c2ccc3ccccc3c2)no1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.39 | Num_heavy_atoms: | 29 |
| TPSA: | 145.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD21379
Formula: C14H10O2N2
Smiles:
NC(=O)c1cc(-c2ccc3ccccc3c2)no1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.25 | Num_heavy_atoms: | 18 |
| TPSA: | 69.12 | NumAromaticRings: | 3 |
