Glycoside
GD076126
Name:
NoneFormula:
C19H29O7N2Smiles:
COc1ccc(CN2CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O)cc1Aglycone:
COc1ccc(CN2CCC([NH3+])CC2=O)cc1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 397.45 | Num_heavy_atoms: | 28 |
| TPSA: | 144.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD35182
Formula: C13H19O2N2
Smiles:
COc1ccc(CN2CCC([NH3+])CC2=O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 235.31 | Num_heavy_atoms: | 17 |
| TPSA: | 57.18 | NumAromaticRings: | 1 |
