Glycoside
GD083086
Name:
NoneFormula:
C21H32O5N4Smiles:
CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)[C@H](O)[C@@H]1OAglycone:
CC(=O)N1CCN(c2ccccc2)CC1.CNC(=O)NC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.51 | Num_heavy_atoms: | 30 |
| TPSA: | 114.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD21283
Formula: C12H16ON2
Smiles:
CC(=O)N1CCN(c2ccccc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
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 |
