Glycoside
GD102665
Name:
NoneFormula:
C22H29O8NSSmiles:
COC(=O)[C@H]1CC2(C[C@H](C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3)C2)C1Aglycone:
COC(=O)C1CC2(CC(C(=O)Nc3ccc(S)cc3)C2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.54 | Num_heavy_atoms: | 32 |
| TPSA: | 145.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD43465
Formula: C16H19O3NS
Smiles:
COC(=O)C1CC2(CC(C(=O)Nc3ccc(S)cc3)C2)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.4 | Num_heavy_atoms: | 21 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
