Glycoside
GD097829
Name:
NoneFormula:
C21H31O8N3Smiles:
CC(C)(C)OC(=O)N1CCN(c2cccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c2)CC1Aglycone:
CC(C)(C)OC(=O)N1CCN(c2cccc(N)c2)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 453.49 | Num_heavy_atoms: | 32 |
| TPSA: | 159.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD41624
Formula: C15H23O2N3
Smiles:
CC(C)(C)OC(=O)N1CCN(c2cccc(N)c2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 277.37 | Num_heavy_atoms: | 20 |
| TPSA: | 58.8 | NumAromaticRings: | 1 |
