Glycoside
GD133542
Name:
3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxan-2-yl)methoxy]propanoic acidFormula:
C26H26O15Smiles:
COc1cc2c(cc1C1COc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc(O)c3C1=O)OCO2Aglycone:
COC(=O)CC(=O)O.COc1cc2c(cc1C1COc3cc(O)cc(O)c3C1=O)OCO2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 578.48 | Num_heavy_atoms: | 41 |
| TPSA: | 216.97 | 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 |
AD52667
Formula: C17H14O7
Smiles:
COc1cc2c(cc1C1COc3cc(O)cc(O)c3C1=O)OCO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
