Glycoside
GD103380
Name:
NoneFormula:
C21H26O8N2SSmiles:
COc1nc(OC)c(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1CAglycone:
COc1nc(OC)c(C(=O)Nc2ccc(S)cc2)cc1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.51 | Num_heavy_atoms: | 32 |
| TPSA: | 150.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD43755
Formula: C15H16O3N2S
Smiles:
COc1nc(OC)c(C(=O)Nc2ccc(S)cc2)cc1C| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.37 | Num_heavy_atoms: | 21 |
| TPSA: | 60.45 | NumAromaticRings: | 2 |
