Glycoside
GD147894
Name:
malvidin 3-glucoside-4-vinylphenolFormula:
C31H31O13Smiles:
COc1cc(C2=C(OC3OC(C[OH2+])C(O)C(O)C3O)C3=C4C(=CC(O)=CC4O2)OC(c2ccc(O)cc2)=C3)cc(OC)c1OAglycone:
COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4O2)OC(c2ccc(O)cc2)=C3)cc(OC)c1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 611.58 | Num_heavy_atoms: | 44 |
| TPSA: | 199.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD59207
Formula: C25H20O8
Smiles:
COc1cc(C2=C(O)C3=C4C(=CC(O)=CC4O2)OC(c2ccc(O)cc2)=C3)cc(OC)c1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.43 | Num_heavy_atoms: | 33 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
