Glycoside
GD023185
Name:
NoneFormula:
C25H28O10Smiles:
COc1ccc(C=CC(=O)OC[C@@H]2O[C@H](Oc3ccc(C(C)=O)cc3)[C@H](O)[C@H](O)[C@H]2O)cc1OCAglycone:
CC(=O)c1ccc(O)cc1.COC(=O)C=Cc1ccc(OC)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 488.49 | Num_heavy_atoms: | 35 |
| TPSA: | 140.98 | 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 |
AD07423
Formula: C12H14O4
Smiles:
COC(=O)C=Cc1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.24 | Num_heavy_atoms: | 16 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
