Glycoside
GD007501
Name:
NoneFormula:
C23H22O11SSmiles:
CS(=O)(=O)c1ccc(C2=C(c3ccc(O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)cc3)C(=O)OC2)cc1Aglycone:
CS(=O)(=O)c1ccc(C2=C(c3ccc(O)cc3)C(=O)OC2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.49 | Num_heavy_atoms: | 35 |
| TPSA: | 176.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD06104
Formula: C17H14O5S
Smiles:
CS(=O)(=O)c1ccc(C2=C(c3ccc(O)cc3)C(=O)OC2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.36 | Num_heavy_atoms: | 23 |
| TPSA: | 80.67 | NumAromaticRings: | 2 |
