Glycoside
GD099988
Name:
NoneFormula:
C24H37O6N3Smiles:
CCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccccc3OC)CC2)[C@H](O)[C@@H]1OAglycone:
CCC(CC)C(=O)NC.COc1ccccc1N1CCN(C(C)=O)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 463.58 | Num_heavy_atoms: | 33 |
| TPSA: | 111.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD22014
Formula: C13H18O2N2
Smiles:
COc1ccccc1N1CCN(C(C)=O)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 234.3 | Num_heavy_atoms: | 17 |
| TPSA: | 32.78 | NumAromaticRings: | 1 |
AD29387
Formula: C7H15ON
Smiles:
CCC(CC)C(=O)NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 129.2 | Num_heavy_atoms: | 9 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
