Glycoside
GD007371
Name:
NoneFormula:
C20H24O9SSmiles:
O=S(=O)(O)CCc1cccc(-c2ccccc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=S(=O)(O)CCc1cccc(-c2ccccc2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.47 | Num_heavy_atoms: | 30 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD06010
Formula: C14H14O4S
Smiles:
O=S(=O)(O)CCc1cccc(-c2ccccc2O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 278.33 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
