Glycoside
GD156184
Name:
{3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-{4-[(4-hydroxybenzoyloxy)methyl]-2-methoxyphenoxy}oxan-2-yl)methoxy]oxolan-3-yl}methyl 3,4-dimethoxybenzoateFormula:
C35H40O17Smiles:
COc1ccc(C(=O)OCC2(O)COC(OCC3OC(Oc4ccc(COC(=O)c5ccc(O)cc5)cc4OC)C(O)C(O)C3O)C2O)cc1OCAglycone:
COC(=O)c1ccc(OC)c(OC)c1.COc1cc(COC(=O)c2ccc(O)cc2)ccc1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 14 |
| MolWt: | 732.69 | Num_heavy_atoms: | 52 |
| TPSA: | 238.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD13182
Formula: C10H12O4
Smiles:
COC(=O)c1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
AD61872
Formula: C15H14O5
Smiles:
COc1cc(COC(=O)c2ccc(O)cc2)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
