Glycoside
GD071606
Name:
NoneFormula:
C19H28O7N2Smiles:
COc1ccc(CN2CC[C@H](N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2=O)cc1Aglycone:
COc1ccc(CN2CCC(N)CC2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.44 | Num_heavy_atoms: | 28 |
| TPSA: | 131.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD33641
Formula: C13H18O2N2
Smiles:
COc1ccc(CN2CCC(N)CC2=O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 55.56 | NumAromaticRings: | 1 |
