Glycoside
GD141869
Name:
Pfaffiaglycoside DFormula:
C35H58O12Smiles:
CCC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CCC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 670.84 | Num_heavy_atoms: | 47 |
| TPSA: | 217.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD57120
Formula: C29H48O7
Smiles:
CCC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(C)O| HBA: | 7 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.7 | Num_heavy_atoms: | 36 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
