Glycoside
GD034429
Name:
NoneFormula:
C42H60O21N12Smiles:
O=C(NCc1cn(CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)c1cc(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:
O=C(NCc1cn(CCO)nn1)c1cc(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)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.64 |
| AlogP: | -9.3 | Num_rotatable_bonds: | 24 |
| MolWt: | 1069.01 | Num_heavy_atoms: | 75 |
| TPSA: | 477.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD21890
Formula: C24H30O6N12
Smiles:
O=C(NCc1cn(CCO)nn1)c1cc(C(=O)NCc2cn(CCO)nn2)cc(C(=O)NCc2cn(CCO)nn2)c1| HBA: | 18 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 15 |
| MolWt: | 582.58 | Num_heavy_atoms: | 42 |
| TPSA: | 240.12 | NumAromaticRings: | 4 |
