Glycoside
GD101968
Name:
NoneFormula:
C23H27O7N3SSmiles:
CN1C(=O)C[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)[C@H]1c1cccnc1Aglycone:
CN1C(=O)CC(C(=O)Nc2ccc(S)cc2)C1c1cccnc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.55 | Num_heavy_atoms: | 34 |
| TPSA: | 152.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD43171
Formula: C17H17O2N3S
Smiles:
CN1C(=O)CC(C(=O)Nc2ccc(S)cc2)C1c1cccnc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 327.41 | Num_heavy_atoms: | 23 |
| TPSA: | 62.3 | NumAromaticRings: | 2 |
