Glycoside
GD088799
Name:
NoneFormula:
C21H31O8N2Smiles:
COC(=O)c1ccc(CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@H]2CC[C@H]([NH3+])CC2)cc1Aglycone:
COC(=O)c1ccc(CNC2CCC([NH3+])CC2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 439.49 | Num_heavy_atoms: | 31 |
| TPSA: | 172.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD38850
Formula: C15H23O2N2
Smiles:
COC(=O)c1ccc(CNC2CCC([NH3+])CC2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.36 | Num_heavy_atoms: | 19 |
| TPSA: | 65.97 | NumAromaticRings: | 1 |
