Glycoside
GD144284
Name:
PhlebotrichinFormula:
C22H30O9Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 438.47 | Num_heavy_atoms: | 31 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD16362
Formula: C11H18O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
