Glycoside
GD083159
Name:
NoneFormula:
C17H25O9N3Smiles:
CC(=O)N[C@@H]1CCN([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)N1Aglycone:
CC(=O)NC1CCNC(=O)N1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.4 | Num_heavy_atoms: | 29 |
| TPSA: | 149.57 | NumAromaticRings: | 0 |
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 |
AD37153
Formula: C6H11O2N3
Smiles:
CC(=O)NC1CCNC(=O)N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 157.17 | Num_heavy_atoms: | 11 |
| TPSA: | 70.23 | NumAromaticRings: | 0 |
