Glycoside
GD034521
Name:
NoneFormula:
C19H24O9Smiles:
C=CCc1ccc(O[C@@H]2O[C@H](COC(=O)CC(=O)OC)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
C=CCc1ccc(O)cc1.COC(=O)CC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 396.39 | Num_heavy_atoms: | 28 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00473
Formula: C9H10O
Smiles:
C=CCc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 134.18 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD21942
Formula: C5H8O4
Smiles:
COC(=O)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
