Glycoside
GD032218
Name:
NoneFormula:
C24H26O9Smiles:
COc1ccc(C=CC(=O)OC[C@@H]2O[C@H](Oc3ccc(C(C)=O)cc3)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(=O)c1ccc(O)cc1.COC(=O)C=Cc1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 458.46 | Num_heavy_atoms: | 33 |
| TPSA: | 131.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD02845
Formula: C8H8O2
Smiles:
CC(=O)c1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD11989
Formula: C11H12O3
Smiles:
COC(=O)C=Cc1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
