Glycoside
GD124032
Name:
malvidin 3-glucoside-4-vinylguaiacolFormula:
C32H33O14Smiles:
COc1cc(C2=CC3=C4C(=CC(O)=CC4OC(c4cc(OC)c(O)c(OC)c4)=C3OC3OC(C[OH2+])C(O)C(O)C3O)O2)ccc1OAglycone:
COc1cc(C2=CC3=C4C(=CC(O)=CC4OC(c4cc(OC)c(O)c(OC)c4)=C3O)O2)ccc1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 641.6 | Num_heavy_atoms: | 46 |
| TPSA: | 208.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD50078
Formula: C26H22O9
Smiles:
COc1cc(C2=CC3=C4C(=CC(O)=CC4OC(c4cc(OC)c(O)c(OC)c4)=C3O)O2)ccc1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.15 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.45 | Num_heavy_atoms: | 35 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
