Glycoside
GD126595
Name:
malvidin 3-glucoside-4-vinylcatecholFormula:
C31H31O14Smiles:
COc1cc(C2=C(OC3OC(C[OH2+])C(O)C(O)C3O)C3=C4C(=CC(O)=CC4O2)OC(c2ccc(O)c(O)c2)=C3)cc(OC)c1OAglycone:
COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4O2)OC(c2ccc(O)c(O)c2)=C3)cc(OC)c1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 627.58 | Num_heavy_atoms: | 45 |
| TPSA: | 219.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD51237
Formula: C25H20O9
Smiles:
COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4O2)OC(c2ccc(O)c(O)c2)=C3)cc(OC)c1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.43 | Num_heavy_atoms: | 34 |
| TPSA: | 138.07 | NumAromaticRings: | 2 |
