Glycoside
GD100982
Name:
NoneFormula:
C21H27O8NSSmiles:
CCOC(=O)[C@]12C[C@](C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cc3)(C1)C2Aglycone:
CCOC(=O)C12CC(C(=O)Nc3ccc(S)cc3)(C1)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 453.51 | Num_heavy_atoms: | 31 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD42681
Formula: C15H17O3NS
Smiles:
CCOC(=O)C12CC(C(=O)Nc3ccc(S)cc3)(C1)C2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 291.37 | Num_heavy_atoms: | 20 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
