Glycoside
GD015261
Name:
2-[2,4-dihydroxy-3-(4-hydroxybenzoyl)-6-methoxyphenyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoateFormula:
C27H26O14Smiles:
COc1cc(O)c(C(=O)c2ccc(O)cc2)c(O)c1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1Aglycone:
COc1cc(O)c(C(=O)c2ccc(O)cc2)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.26 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 574.49 | Num_heavy_atoms: | 41 |
| TPSA: | 243.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD06298
Formula: C14H12O5
Smiles:
COc1cc(O)c(C(=O)c2ccc(O)cc2)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
