Glycoside
GD082868
Name:
NoneFormula:
C17H29O8N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)NC(CC#N)C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 403.43 | Num_heavy_atoms: | 28 |
| TPSA: | 170.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD37121
Formula: C11H19O4N3
Smiles:
CC(C)(C)OC(=O)NC(CC#N)C(=O)NCCO| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 257.29 | Num_heavy_atoms: | 18 |
| TPSA: | 111.45 | NumAromaticRings: | 0 |
