Glycoside
GD102309
Name:
NoneFormula:
C21H24O8NFSSmiles:
COc1cc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc(OC)c1FAglycone:
COc1cc(C(=O)Nc2ccc(S)cc2)cc(OC)c1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.49 | Num_heavy_atoms: | 32 |
| TPSA: | 137.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD43300
Formula: C15H14O3NFS
Smiles:
COc1cc(C(=O)Nc2ccc(S)cc2)cc(OC)c1F| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 307.35 | Num_heavy_atoms: | 21 |
| TPSA: | 47.56 | NumAromaticRings: | 2 |
