Glycoside
GD080792
Name:
NoneFormula:
C17H25O8NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CCS(=O)(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CCS(=O)(=O)c1ccccc1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 403.45 | Num_heavy_atoms: | 27 |
| TPSA: | 142.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD36469
Formula: C11H15O4NS
Smiles:
O=C(CCS(=O)(=O)c1ccccc1)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 257.31 | Num_heavy_atoms: | 17 |
| TPSA: | 83.47 | NumAromaticRings: | 1 |
