Glycoside
GD122712
Name:
malvidin 3,7-diglucosideFormula:
C29H37O17Smiles:
COc1cc(C2Oc3cc(OC4OC(C[OH2+])C(O)C(O)C4O)cc(O)c3C=C2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(OC)c1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.52 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 657.6 | Num_heavy_atoms: | 46 |
| TPSA: | 269.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD45815
Formula: C17H16O7
Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
