Glycoside
GD068357
Name:
NoneFormula:
C16H18O7N2Smiles:
O=C(c1nc(-c2cccc(OC3CC3)c2)no1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
c1cc(OC2CC2)cc(-c2ncon2)c1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 350.33 | Num_heavy_atoms: | 25 |
| TPSA: | 146.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD32381
Formula: C11H10O2N2
Smiles:
c1cc(OC2CC2)cc(-c2ncon2)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 202.21 | Num_heavy_atoms: | 15 |
| TPSA: | 48.15 | NumAromaticRings: | 2 |
