Glycoside
GD084190
Name:
NoneFormula:
C21H30O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(c1ccccc1)N1CC(C(=O)NCCO)CC1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.48 | Num_heavy_atoms: | 30 |
| TPSA: | 128.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD37577
Formula: C15H20O3N2
Smiles:
CC(c1ccccc1)N1CC(C(=O)NCCO)CC1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.34 | Num_heavy_atoms: | 20 |
| TPSA: | 69.64 | NumAromaticRings: | 1 |
