Glycoside
GD102168
Name:
NoneFormula:
C23H32O7N2SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1Aglycone:
O=C(Nc1ccc(S)cc1)C1CC(=O)N(C2CCCCC2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.58 | Num_heavy_atoms: | 33 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD43238
Formula: C17H22O2N2S
Smiles:
O=C(Nc1ccc(S)cc1)C1CC(=O)N(C2CCCCC2)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.44 | Num_heavy_atoms: | 22 |
| TPSA: | 49.41 | NumAromaticRings: | 1 |
