Glycoside
GD133146
Name:
5-[2-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl acetateFormula:
C20H20O11Smiles:
CC(=O)OC1C(CO)OC(Oc2cc(O)cc(O)c2C(=O)c2cc(O)cc(O)c2)C1OAglycone:
O=C(c1cc(O)cc(O)c1)c1c(O)cc(O)cc1OSugarmoiety:
CC(=O)OC1C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.37 | Num_heavy_atoms: | 31 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD46861
Formula: C13H10O6
Smiles:
O=C(c1cc(O)cc(O)c1)c1c(O)cc(O)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.22 | Num_heavy_atoms: | 19 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
