Glycoside
GD031728
Name:
NoneFormula:
C33H47O15N9Smiles:
CCC(=O)Nc1cc(C(=O)NCc2cn(CCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc(C(=O)NCc2cn(CCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1Aglycone:
CCC(=O)Nc1cc(C(=O)NCc2cn(CCO)nn2)cc(C(=O)NCc2cn(CCO)nn2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -5.29 | Num_rotatable_bonds: | 18 |
| MolWt: | 809.79 | Num_heavy_atoms: | 57 |
| TPSA: | 347.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD20422
Formula: C21H27O5N9
Smiles:
CCC(=O)Nc1cc(C(=O)NCc2cn(CCO)nn2)cc(C(=O)NCc2cn(CCO)nn2)c1| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 485.51 | Num_heavy_atoms: | 35 |
| TPSA: | 189.18 | NumAromaticRings: | 3 |
