Glycoside
GD051891
Name:
NoneFormula:
C13H20O6N2Smiles:
O=C(c1nnc(CC2CCCC2)o1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1nnc(CC2CCCC2)o1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 300.31 | Num_heavy_atoms: | 21 |
| TPSA: | 136.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD27039
Formula: C8H12ON2
Smiles:
c1nnc(CC2CCCC2)o1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.2 | Num_heavy_atoms: | 11 |
| TPSA: | 38.92 | NumAromaticRings: | 1 |
