Glycoside
GD101002
Name:
NoneFormula:
C21H27O8NSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc(OCc2ccccc2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 453.51 | Num_heavy_atoms: | 31 |
| TPSA: | 134.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD42693
Formula: C15H17O4NS
Smiles:
O=S(=O)(NCCO)c1ccc(OCc2ccccc2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 307.37 | Num_heavy_atoms: | 21 |
| TPSA: | 75.63 | NumAromaticRings: | 2 |
