Glycoside
GD133080
Name:
1-(2,4-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-hydroxy-3-(4-hydroxyphenyl)propan-1-oneFormula:
C21H24O11Smiles:
O=C(c1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1O)C(O)Cc1ccc(O)cc1Aglycone:
O=C(c1ccc(O)c(O)c1O)C(O)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.41 | Num_heavy_atoms: | 32 |
| TPSA: | 197.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD53871
Formula: C15H14O6
Smiles:
O=C(c1ccc(O)c(O)c1O)C(O)Cc1ccc(O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
