Glycoside
GD012502
Name:
NoneFormula:
C22H25O6NS2Smiles:
C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(C#Cc3ccc(C4CC4)cc3)s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1ccc(C#Cc2ccc(C3CC3)cc2)s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.58 | Num_heavy_atoms: | 31 |
| TPSA: | 116.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD09416
Formula: C16H15O2NS2
Smiles:
CNS(=O)(=O)c1ccc(C#Cc2ccc(C3CC3)cc2)s1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.44 | Num_heavy_atoms: | 21 |
| TPSA: | 46.17 | NumAromaticRings: | 2 |
