Glycoside
GD033644
Name:
NoneFormula:
C25H39O8N3Smiles:
CC(C)O[C@@H]1[C@@H](n2nnc(C(=O)OC(C)(C)C)c2C#CC(=O)OC(C)(C)C)O[C@@H](CO)[C@H]1OC(C)CAglycone:
CC(C)(C)OC(=O)C#CC1=C(C(=O)OC(C)(C)C)N=N[N]1Sugarmoiety:
CC(C)OC1C(O)OC(CO)C1OC(C)COther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 509.6 | Num_heavy_atoms: | 36 |
| TPSA: | 131.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD17718
Formula: C14H18O4N3
Smiles:
CC(C)(C)OC(=O)C#CC1=C(C(=O)OC(C)(C)C)N=N[N]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 292.31 | Num_heavy_atoms: | 21 |
| TPSA: | 91.42 | NumAromaticRings: | 0 |
