Glycoside
GD015141
Name:
NoneFormula:
C17H29O16SSmiles:
C[C@@H]1O[C@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=S(=O)([O-])O.OCC1OCCC(O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -5.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 521.47 | Num_heavy_atoms: | 34 |
| TPSA: | 254.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD00426
Formula: HO4S
Smiles:
O=S(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.07 | Num_heavy_atoms: | 5 |
| TPSA: | 77.43 | NumAromaticRings: | 0 |
AD02704
Formula: C6H12O4
Smiles:
OCC1OCCC(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.16 | Num_heavy_atoms: | 10 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
