Glycoside
GD035812
Name:
NoneFormula:
C34H32O14Cl2SSmiles:
O=c1oc2ccc(Cl)cc2cc1CO[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](OCc3cc4cc(Cl)ccc4oc3=O)[C@@H]2O)[C@@H]1OAglycone:
O=c1oc2ccc(Cl)cc2cc1CO.O=c1oc2ccc(Cl)cc2cc1COSugarmoiety:
OCC1OC(SC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 743.57 | Num_heavy_atoms: | 49 |
| TPSA: | 218.72 | NumAromaticRings: | 4 |
Unique Aglycone
AD22638
Formula: C11H7O3Cl
Smiles:
O=c1oc2ccc(Cl)cc2cc1CO| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.62 | Num_heavy_atoms: | 14 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
