Glycoside
GD095653
Name:
NoneFormula:
C12H23O16NS2Smiles:
O=C[C@H](NS(O)(O)O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O)[C@H](O)COS(O)(O)OAglycone:
NS(O)(O)O.O=C(O)C1=CC(O)C(O)CO1Sugarmoiety:
O=CC(O)C(O)C(OO)C(O)COS(O)(O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 1 |
| HBD: | 12 | FractionCSP3: | 0.67 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 12 |
| MolWt: | 501.44 | Num_heavy_atoms: | 31 |
| TPSA: | 296.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD12333
Formula: C6H8O5
Smiles:
O=C(O)C1=CC(O)C(O)CO1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.12 | Num_heavy_atoms: | 11 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
AD24861
Formula: H5O3NS
Smiles:
NS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 99.11 | Num_heavy_atoms: | 5 |
| TPSA: | 86.71 | NumAromaticRings: | 0 |
