Glycoside
GD027242
Name:
NoneFormula:
C27H32O9N4SSmiles:
Nc1nc(CC(=O)Nc2ccc(CCN(C[C@H](O)c3ccccc3)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(O)CC(O)c3ccccc3)cc2)cs1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 12 |
| MolWt: | 588.64 | Num_heavy_atoms: | 41 |
| TPSA: | 207.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD17923
Formula: C21H24O3N4S
Smiles:
Nc1nc(CC(=O)Nc2ccc(CCN(O)CC(O)c3ccccc3)cc2)cs1| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 412.52 | Num_heavy_atoms: | 29 |
| TPSA: | 111.71 | NumAromaticRings: | 3 |
