Glycoside
GD081117
Name:
NoneFormula:
C16H23O9NSSmiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(NCCO)c1ccc2c(c1)OCCO2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.43 | Num_heavy_atoms: | 27 |
| TPSA: | 143.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD36576
Formula: C10H13O5NS
Smiles:
O=S(=O)(NCCO)c1ccc2c(c1)OCCO2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.28 | Num_heavy_atoms: | 17 |
| TPSA: | 84.86 | NumAromaticRings: | 1 |
