Glycoside
GD103100
Name:
NoneFormula:
C21H26O7N2SSmiles:
CC(C)n1cc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)ccc1=OAglycone:
CC(C)n1cc(C(=O)Nc2ccc(S)cc2)ccc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.51 | Num_heavy_atoms: | 31 |
| TPSA: | 141.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD43620
Formula: C15H16O2N2S
Smiles:
CC(C)n1cc(C(=O)Nc2ccc(S)cc2)ccc1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.37 | Num_heavy_atoms: | 20 |
| TPSA: | 51.1 | NumAromaticRings: | 2 |
