Glycoside
GD051185
Name:
NoneFormula:
C15H22O5N2Smiles:
COc1ccc(CNC(=O)C[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(CNC(C)=O)cc1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 310.35 | Num_heavy_atoms: | 22 |
| TPSA: | 114.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD21381
Formula: C10H13O2N
Smiles:
COc1ccc(CNC(C)=O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
