Glycoside
GD090832
Name:
NoneFormula:
C19H26O7N2SSmiles:
CN1CC[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)CC1=OAglycone:
CN1CCC(C(=O)Nc2ccc(S)cc2)CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.49 | Num_heavy_atoms: | 29 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD39543
Formula: C13H16O2N2S
Smiles:
CN1CCC(C(=O)Nc2ccc(S)cc2)CC1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 264.35 | Num_heavy_atoms: | 18 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
