Glycoside
GD098619
Name:
NoneFormula:
C22H33O9NSSmiles:
COc1cccc(CC2(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CCS(=O)(=O)CC2)c1Aglycone:
COc1cccc(CC2(C(=O)NCCO)CCS(=O)(=O)CC2)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 487.57 | Num_heavy_atoms: | 33 |
| TPSA: | 151.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD41943
Formula: C16H23O5NS
Smiles:
COc1cccc(CC2(C(=O)NCCO)CCS(=O)(=O)CC2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 341.43 | Num_heavy_atoms: | 23 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
