Glycoside
GD157401
Name:
peonidin 3-(6''-malonylglucoside)Formula:
C25H27O14Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)CC(=O)O.COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 551.48 | Num_heavy_atoms: | 39 |
| TPSA: | 224.57 | 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 |
AD51633
Formula: C16H15O6
Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 303.29 | Num_heavy_atoms: | 22 |
| TPSA: | 102.05 | NumAromaticRings: | 2 |
