Glycoside
GD098410
Name:
NoneFormula:
C22H22O8N2SSmiles:
O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1Aglycone:
O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.49 | Num_heavy_atoms: | 33 |
| TPSA: | 156.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD41853
Formula: C16H12O3N2S
Smiles:
O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccc(S)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.35 | Num_heavy_atoms: | 22 |
| TPSA: | 66.48 | NumAromaticRings: | 2 |
