Glycoside
GD101370
Name:
NoneFormula:
C21H26O7N2SSmiles:
COc1cccnc1CCC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1Aglycone:
COc1cccnc1CCC(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.51 | Num_heavy_atoms: | 31 |
| TPSA: | 141.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD42905
Formula: C15H16O2N2S
Smiles:
COc1cccnc1CCC(=O)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.37 | Num_heavy_atoms: | 20 |
| TPSA: | 51.22 | NumAromaticRings: | 2 |
