Glycoside
GD152080
Name:
{3,4,5-trihydroxy-6-[(4-oxo-4H-pyran-3-yl)oxy]oxan-2-yl}methyl 4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)benzoateFormula:
C28H34O10Smiles:
CC(C)=CCc1cc(C(=O)OCC2OC(Oc3coccc3=O)C(O)C(O)C2O)cc(CC=C(C)C)c1OAglycone:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1.O=c1ccocc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 530.57 | Num_heavy_atoms: | 38 |
| TPSA: | 155.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD24873
Formula: C5H4O3
Smiles:
O=c1ccocc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.08 | Num_heavy_atoms: | 8 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
AD45207
Formula: C18H24O3
Smiles:
COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.39 | Num_heavy_atoms: | 21 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
