Glycoside
GD124934
Name:
peonidin 3-(6'-malonylglucoside)-5-glucosideFormula:
C31H37O19Smiles:
COc1cc(C2Oc3cc(O)cc(OC4OC(C[OH2+])C(O)C(O)C4O)c3C=C2OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)CC(=O)O.COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)ccc1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 713.62 | Num_heavy_atoms: | 50 |
| TPSA: | 303.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD45387
Formula: C16H14O6
Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
