Glycoside
GD130533
Name:
(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoateFormula:
C21H22O14Smiles:
COC1OC(COC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(O)C(O)C1OAglycone:
COC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.39 | Num_heavy_atoms: | 35 |
| TPSA: | 232.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD05131
Formula: C15H12O9
Smiles:
COC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.25 | Num_heavy_atoms: | 24 |
| TPSA: | 153.75 | NumAromaticRings: | 2 |
