Glycoside
GD016132
Name:
[6-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C26H24O13Smiles:
O=C(OC[C@@H]1O[C@H](Oc2cc(O)c(C(=O)c3ccccc3)c(O)c2)[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(c1ccccc1)c1c(O)cc(O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.23 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.47 | Num_heavy_atoms: | 39 |
| TPSA: | 223.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD11652
Formula: C13H10O4
Smiles:
O=C(c1ccccc1)c1c(O)cc(O)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 230.22 | Num_heavy_atoms: | 17 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
