Glycoside
GD128069
Name:
cyanidin 3-[6-(6-p-hydroxybenzoylglucosyl)-2-xylosylgalactoside]Formula:
C39H45O22Smiles:
O=C(OCC1OC(OCC2OC(OC3=Cc4c(O)cc(O)cc4OC3c3ccc(O)c(O)c3)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)c1ccc([OH2+])cc1Aglycone:
COC(=O)c1ccc([OH2+])cc1.OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
OC1COC(OC2C(O)OC(COC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.46 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 865.77 | Num_heavy_atoms: | 61 |
| TPSA: | 356.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD44975
Formula: C15H12O6
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
AD45508
Formula: C8H9O3
Smiles:
COC(=O)c1ccc([OH2+])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.16 | Num_heavy_atoms: | 11 |
| TPSA: | 49.2 | NumAromaticRings: | 1 |
