Glycoside
GD136492
Name:
5-[2-(3,5-dihydroxybenzoyl)-3-hydroxy-5-methoxyphenoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl acetateFormula:
C21H22O11Smiles:
COc1cc(O)c(C(=O)c2cc(O)cc(O)c2)c(OC2OC(CO)C(OC(C)=O)C2O)c1Aglycone:
COc1cc(O)c(C(=O)c2cc(O)cc(O)c2)c(O)c1Sugarmoiety:
CC(=O)OC1C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD47582
Formula: C14H12O6
Smiles:
COc1cc(O)c(C(=O)c2cc(O)cc(O)c2)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
