Glycoside
GD116553
Name:
malvidin 3-glucoside-pyruvateFormula:
C26H27O14Smiles:
COc1cc(C2=C(OC3OC(C[OH2+])C(O)C(O)C3O)C3=C4C(=CC(O)=CC4O2)OC(C(=O)O)=C3)cc(OC)c1OAglycone:
COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4O2)OC(C(=O)O)=C3)cc(OC)c1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 563.49 | Num_heavy_atoms: | 40 |
| TPSA: | 216.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD46302
Formula: C20H16O9
Smiles:
COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4O2)OC(C(=O)O)=C3)cc(OC)c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.34 | Num_heavy_atoms: | 29 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
