Glycoside
GD102838
Name:
NoneFormula:
C22H27O7N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccncc1N1CCOCC1Aglycone:
O=C(Nc1ccc(S)cc1)c1ccncc1N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 477.54 | Num_heavy_atoms: | 33 |
| TPSA: | 144.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD43531
Formula: C16H17O2N3S
Smiles:
O=C(Nc1ccc(S)cc1)c1ccncc1N1CCOCC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 315.4 | Num_heavy_atoms: | 22 |
| TPSA: | 54.46 | NumAromaticRings: | 2 |
