Glycoside
GD067894
Name:
NoneFormula:
C17H31O5N3Smiles:
CC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)NC(C)C)[C@@H](O)[C@H]2O)CC1Aglycone:
CC(=O)N1CCC(C)CC1.CNC(=O)NC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 357.45 | Num_heavy_atoms: | 25 |
| TPSA: | 111.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD21840
Formula: C5H12ON2
Smiles:
CNC(=O)NC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
AD22961
Formula: C8H15ON
Smiles:
CC(=O)N1CCC(C)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 141.21 | Num_heavy_atoms: | 10 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
