Glycoside
GD002849
Name:
NoneFormula:
C18H29O8SSmiles:
OC[C@H](O)[C@H](O)[C@H](OCc1ccccc1)[C@H](O)C[S+]1C[C@H](O)[C@H](O)[C@H]1COAglycone:
C[S+]1CC(O)C(O)C1CO.Cc1ccccc1Sugarmoiety:
OCC(O)C(O)C(OO)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 405.49 | Num_heavy_atoms: | 27 |
| TPSA: | 150.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD02012
Formula: C6H13O3S
Smiles:
C[S+]1CC(O)C(O)C1CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.23 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
