Glycoside
GD089192
Name:
NoneFormula:
C22H32O6N4Smiles:
O=C(C[C@@H]1O[C@H](CNC(=O)N2CCOCC2)[C@@H](O)[C@H]1O)N1CCN(c2ccccc2)CC1Aglycone:
CC(=O)N1CCN(c2ccccc2)CC1.CNC(=O)N1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.52 | Num_heavy_atoms: | 32 |
| TPSA: | 114.81 | 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 |
AD30365
Formula: C6H12O2N2
Smiles:
CNC(=O)N1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.17 | Num_heavy_atoms: | 10 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
