Glycoside
GD067519
Name:
NoneFormula:
C15H22O8N2Smiles:
C=CCN1CC2(CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2)OCC1=OAglycone:
C=CCN1CC2(CNC2)OCC1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -3.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.35 | Num_heavy_atoms: | 25 |
| TPSA: | 147.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD32180
Formula: C9H14O2N2
Smiles:
C=CCN1CC2(CNC2)OCC1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
