Glycoside
GD114553
Name:
Protoplumericin AFormula:
C36H42O19Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 11 |
| MolWt: | 778.71 | Num_heavy_atoms: | 55 |
| TPSA: | 286.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD00767
Formula: C24H22O9
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.43 | Num_heavy_atoms: | 33 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
