Glycoside
GD132808
Name:
Saffloquinoside BFormula:
C34H38O17Smiles:
O=C1C(=C(O)C=Cc2ccc(O)cc2)C(=O)C(Cc2ccc(O)cc2)(C2OC(CO)C(O)C(O)C2O)C(=O)C1(O)C1OC(CO)C(O)C(O)C1OAglycone:
O=C1C(=C(O)C=Cc2ccc(O)cc2)C(=O)C(Cc2ccc(O)cc2)C(=O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -3.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 718.66 | Num_heavy_atoms: | 51 |
| TPSA: | 312.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD53765
Formula: C22H18O7
Smiles:
O=C1C(=C(O)C=Cc2ccc(O)cc2)C(=O)C(Cc2ccc(O)cc2)C(=O)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.38 | Num_heavy_atoms: | 29 |
| TPSA: | 132.13 | NumAromaticRings: | 2 |
