Glycoside
GD044380
Name:
NoneFormula:
C12H20O6N2Smiles:
O=C(C(=O)N1CCNC2(CC2)C1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
C1CNC2(CC2)CN1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 20 |
| TPSA: | 130.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD25002
Formula: C6H12N2
Smiles:
C1CNC2(CC2)CN1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.18 | Num_heavy_atoms: | 8 |
| TPSA: | 24.06 | NumAromaticRings: | 0 |
