Glycoside
GD124923
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoateFormula:
C20H20O14Smiles:
O=C(Oc1cc(C(=O)OC2OC(CO)C(O)C(O)C2O)cc(O)c1O)c1cc(O)c(O)c(O)c1Aglycone:
O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.3 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.37 | Num_heavy_atoms: | 34 |
| TPSA: | 243.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD05132
Formula: C14H10O9
Smiles:
O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.22 | Num_heavy_atoms: | 23 |
| TPSA: | 164.75 | NumAromaticRings: | 2 |
