Glycoside
GD130283
Name:
2-[3-hydroxy-2-(4-hydroxy-3-methoxybenzoyl)-5-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H24O11Smiles:
COc1cc(O)c(C(=O)c2ccc(O)c(OC)c2)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
COc1cc(O)c(C(=O)c2ccc(O)c(OC)c2)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.41 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD52793
Formula: C15H14O6
Smiles:
COc1cc(O)c(C(=O)c2ccc(O)c(OC)c2)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
