Glycoside
GD090936
Name:
NoneFormula:
C20H28O7N2SSmiles:
CC[C@@H]1CCN(CC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)C1=OAglycone:
CCC1CCN(CC(=O)Nc2ccc(S)cc2)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.52 | Num_heavy_atoms: | 30 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD39597
Formula: C14H18O2N2S
Smiles:
CCC1CCN(CC(=O)Nc2ccc(S)cc2)C1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 278.38 | Num_heavy_atoms: | 19 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
