Glycoside
GD061301
Name:
NoneFormula:
C16H18O6N2Smiles:
O=C(c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
c1ccc(C2CC2c2nnco2)cc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 334.33 | Num_heavy_atoms: | 24 |
| TPSA: | 136.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD30096
Formula: C11H10ON2
Smiles:
c1ccc(C2CC2c2nnco2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.21 | Num_heavy_atoms: | 14 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
