Glycoside
GD107425
Name:
NoneFormula:
C24H33O10N2Smiles:
CCN(CC)C(=O)c1ccc[n+]([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1Aglycone:
CCN(CC)C(=O)c1ccc[nH+]c1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 509.53 | Num_heavy_atoms: | 36 |
| TPSA: | 138.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44311
Formula: C10H15ON2
Smiles:
CCN(CC)C(=O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.24 | Num_heavy_atoms: | 13 |
| TPSA: | 34.45 | NumAromaticRings: | 1 |
