Glycoside
GD102377
Name:
NoneFormula:
C23H32O8N2SSmiles:
CC(C)(C)OC(=O)N1C[C@H]2C[C@]1(C(=O)Nc1ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc1)C2Aglycone:
CC(C)(C)OC(=O)N1CC2CC1(C(=O)Nc1ccc(S)cc1)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.58 | Num_heavy_atoms: | 34 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD43326
Formula: C17H22O3N2S
Smiles:
CC(C)(C)OC(=O)N1CC2CC1(C(=O)Nc1ccc(S)cc1)C2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.44 | Num_heavy_atoms: | 23 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
