Glycoside
GD102816
Name:
NoneFormula:
C22H26O7N2SSmiles:
CN1C[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)Oc2ccccc21Aglycone:
CN1CC(C(=O)Nc2ccc(S)cc2)Oc2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.52 | Num_heavy_atoms: | 32 |
| TPSA: | 131.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD43523
Formula: C16H16O2N2S
Smiles:
CN1CC(C(=O)Nc2ccc(S)cc2)Oc2ccccc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.38 | Num_heavy_atoms: | 21 |
| TPSA: | 41.57 | NumAromaticRings: | 2 |
