Glycoside
GD006452
Name:
NoneFormula:
C18H18O6N2Smiles:
OC[C@@H]1O[C@H](c2nnc(-c3ccc4ccccc4c3)o2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc2cc(-c3nnco3)ccc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 129.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD05345
Formula: C12H8ON2
Smiles:
c1ccc2cc(-c3nnco3)ccc2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.21 | Num_heavy_atoms: | 15 |
| TPSA: | 38.92 | NumAromaticRings: | 3 |
