Glycoside
GD024532
Name:
NoneFormula:
C43H63O16N7Smiles:
COC(=O)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1cn(C[C@@H]2O[C@H](OC)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)CAglycone:
COC(=O)C(NC(=O)C(CCCCNC(=O)OCc1cn(C)nn1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)CSugarmoiety:
COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 22 |
| MolWt: | 934.01 | Num_heavy_atoms: | 66 |
| TPSA: | 289.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD16359
Formula: C31H47O8N7
Smiles:
COC(=O)C(NC(=O)C(CCCCNC(=O)OCc1cn(C)nn1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 16 |
| MolWt: | 645.76 | Num_heavy_atoms: | 46 |
| TPSA: | 191.87 | NumAromaticRings: | 2 |
