Glycoside
GD102448
Name:
NoneFormula:
C21H32O8N2SSmiles:
C[C@@H](C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)N(C)C(=O)OC(C)(C)CAglycone:
CC(C(=O)Nc1ccc(S)cc1)N(C)C(=O)OC(C)(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.56 | Num_heavy_atoms: | 32 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD43365
Formula: C15H22O3N2S
Smiles:
CC(C(=O)Nc1ccc(S)cc1)N(C)C(=O)OC(C)(C)C| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.42 | Num_heavy_atoms: | 21 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
