Glycoside
GD090289
Name:
NoneFormula:
C20H27O7N2ClSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C[C@@H](CC(N)=O)c2ccc(Cl)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
NC(=O)CC(CC(=O)NCCO)c1ccc(Cl)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 430.89 | Num_heavy_atoms: | 29 |
| TPSA: | 151.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD39303
Formula: C14H17O3N2Cl
Smiles:
NC(=O)CC(CC(=O)NCCO)c1ccc(Cl)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 284.74 | Num_heavy_atoms: | 19 |
| TPSA: | 92.42 | NumAromaticRings: | 1 |
