Glycoside
GD102186
Name:
NoneFormula:
C23H32O8N2SSmiles:
CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)C[C@H]2C[C@H]21Aglycone:
CC(C)(C)OC(=O)N1C(C(=O)Nc2ccc(S)cc2)CC2CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.58 | Num_heavy_atoms: | 34 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD43244
Formula: C17H22O3N2S
Smiles:
CC(C)(C)OC(=O)N1C(C(=O)Nc2ccc(S)cc2)CC2CC21| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.44 | Num_heavy_atoms: | 23 |
| TPSA: | 58.64 | NumAromaticRings: | 1 |
