Glycoside
GD158200
Name:
4-methyl-6-oxo-3,6-dihydro-2H-pyran-3-yl 3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoateFormula:
C21H24O11Smiles:
CC1=CC(=O)OCC1OC(=O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1Aglycone:
CC1=CC(=O)OCC1OC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.41 | Num_heavy_atoms: | 32 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD62468
Formula: C15H14O6
Smiles:
CC1=CC(=O)OCC1OC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
