Glycoside
GD114999
Name:
2-[2,4-dihydroxy-3-(3-hydroxybenzoyl)-6-methoxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H22O10Smiles:
COc1cc(O)c(C(=O)c2cccc(O)c2)c(O)c1C1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)c(C(=O)c2cccc(O)c2)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.39 | Num_heavy_atoms: | 30 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD45406
Formula: C14H12O5
Smiles:
COc1cc(O)c(C(=O)c2cccc(O)c2)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
