Glycoside
GD079178
Name:
NoneFormula:
C12H21O13NSSmiles:
O=C(O)C1=C[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NS(O)(O)O)[C@H]2O)O1Aglycone:
NS(O)(O)O.O=C(O)C1=CC(O)C(O)C(O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.36 | Num_heavy_atoms: | 27 |
| TPSA: | 238.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD03451
Formula: C6H8O6
Smiles:
O=C(O)C1=CC(O)C(O)C(O)O1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.12 | Num_heavy_atoms: | 12 |
| TPSA: | 107.22 | 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 |
