Glycoside
GD102456
Name:
NoneFormula:
C23H22O8N2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1Aglycone:
O=C(Nc1ccc(S)cc1)c1ccc(N2C(=O)C=CC2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.5 | Num_heavy_atoms: | 34 |
| TPSA: | 156.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD43367
Formula: C17H12O3N2S
Smiles:
O=C(Nc1ccc(S)cc1)c1ccc(N2C(=O)C=CC2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.36 | Num_heavy_atoms: | 23 |
| TPSA: | 66.48 | NumAromaticRings: | 2 |
