Glycoside
GD135888
Name:
Protoplumericin BFormula:
C36H42O20Smiles:
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)c(O)c2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -3.23 | Num_rotatable_bonds: | 11 |
| MolWt: | 794.71 | Num_heavy_atoms: | 56 |
| TPSA: | 307.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD50599
Formula: C24H22O10
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O1| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.43 | Num_heavy_atoms: | 34 |
| TPSA: | 148.82 | NumAromaticRings: | 1 |
