Glycoside
GD102496
Name:
NoneFormula:
C22H23O8NSSmiles:
O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
O=C(CC1OC(=O)c2ccccc21)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.49 | Num_heavy_atoms: | 32 |
| TPSA: | 145.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD43382
Formula: C16H13O3NS
Smiles:
O=C(CC1OC(=O)c2ccccc21)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.35 | Num_heavy_atoms: | 21 |
| TPSA: | 55.4 | NumAromaticRings: | 2 |
