Glycoside
GD141052
Name:
6-hydroxycyanidin 3-(6-malonylglucoside)Formula:
C24H25O15Smiles:
O=C(O)CC(=O)OCC1OC(OC2=Cc3c(cc(O)c(O)c3O)OC2c2ccc([OH2+])c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)O.OC1=Cc2c(cc(O)c(O)c2O)OC1c1ccc([OH2+])c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.33 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 553.45 | Num_heavy_atoms: | 39 |
| TPSA: | 255.8 | 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 |
AD54376
Formula: C15H13O7
Smiles:
OC1=Cc2c(cc(O)c(O)c2O)OC1c1ccc([OH2+])c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 305.26 | Num_heavy_atoms: | 22 |
| TPSA: | 133.28 | NumAromaticRings: | 2 |
