Glycoside
GD106389
Name:
NoneFormula:
C21H20O13SSmiles:
O=C(O)[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(OS(O)(O)O)cc4)coc3c2)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
O=c1c(-c2ccc(OS(O)(O)O)cc2)coc2cc(O)ccc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.45 | Num_heavy_atoms: | 35 |
| TPSA: | 216.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD44168
Formula: C15H12O7S
Smiles:
O=c1c(-c2ccc(OS(O)(O)O)cc2)coc2cc(O)ccc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.32 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
