Glycoside
GD092854
Name:
NoneFormula:
C22H31O7N3Smiles:
CC(=O)N[C@@H]1[C@H](O/N=C2/C(=O)N(CCC(C)C)c3ccc(C)cc32)O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1ccc2c(c1)C(=NO)C(=O)N2CCC(C)CSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.5 | Num_heavy_atoms: | 32 |
| TPSA: | 140.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD40367
Formula: C14H18O2N2
Smiles:
Cc1ccc2c(c1)C(=NO)C(=O)N2CCC(C)C| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.31 | Num_heavy_atoms: | 18 |
| TPSA: | 52.9 | NumAromaticRings: | 1 |
