Glycoside
GD102598
Name:
NoneFormula:
C23H26O8N2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccc(N2CCOCC2=O)cc1Aglycone:
O=C(Nc1ccc(S)cc1)c1ccc(N2CCOCC2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.53 | Num_heavy_atoms: | 34 |
| TPSA: | 148.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD43431
Formula: C17H16O3N2S
Smiles:
O=C(Nc1ccc(S)cc1)c1ccc(N2CCOCC2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.39 | Num_heavy_atoms: | 23 |
| TPSA: | 58.64 | NumAromaticRings: | 2 |
