Glycoside
GD024766
Name:
NoneFormula:
C28H30O10N4SSmiles:
Nc1nc(CC(=O)Nc2ccc(CCN(CC(=O)c3ccccc3)C(=O)O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2)cs1Aglycone:
Nc1nc(CC(=O)Nc2ccc(CCN(CC(=O)c3ccccc3)C(=O)O)cc2)cs1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 614.63 | Num_heavy_atoms: | 43 |
| TPSA: | 221.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD16498
Formula: C22H22O4N4S
Smiles:
Nc1nc(CC(=O)Nc2ccc(CCN(CC(=O)c3ccccc3)C(=O)O)cc2)cs1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 438.51 | Num_heavy_atoms: | 31 |
| TPSA: | 125.62 | NumAromaticRings: | 3 |
