Glycoside
GD035052
Name:
NoneFormula:
C19H36O6N2Smiles:
CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)CAglycone:
C=CC(C)(C)C.CNC(=O)C(N)CC(C)CSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 388.51 | Num_heavy_atoms: | 27 |
| TPSA: | 128.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00410
Formula: C6H12
Smiles:
C=CC(C)(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 84.16 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD22204
Formula: C7H16ON2
Smiles:
CNC(=O)C(N)CC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 144.22 | Num_heavy_atoms: | 10 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
