Glycoside
GD099383
Name:
NoneFormula:
C23H31O8N3Smiles:
CC(C)(C)OC(=O)N1C[C@H](c2ccccc2C#N)[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1Aglycone:
CC(C)(C)OC(=O)N1CC(C(N)=O)C(c2ccccc2C#N)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 477.51 | Num_heavy_atoms: | 34 |
| TPSA: | 172.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD42265
Formula: C17H21O3N3
Smiles:
CC(C)(C)OC(=O)N1CC(C(N)=O)C(c2ccccc2C#N)C1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 315.37 | Num_heavy_atoms: | 23 |
| TPSA: | 96.42 | NumAromaticRings: | 1 |
