Glycoside
GD128776
Name:
1,3,6,8-tetrahydroxy-9-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-2-yl 4-hydroxybenzoateFormula:
C26H22O14Smiles:
O=C(Oc1c(O)cc2oc3c(C4OC(CO)C(O)C(O)C4O)c(O)cc(O)c3c(=O)c2c1O)c1ccc(O)cc1Aglycone:
O=C(Oc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.23 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 558.45 | Num_heavy_atoms: | 40 |
| TPSA: | 247.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD52165
Formula: C20H12O9
Smiles:
O=C(Oc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1O)c1ccc(O)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 396.31 | Num_heavy_atoms: | 29 |
| TPSA: | 157.66 | NumAromaticRings: | 4 |
