Glycoside
GD122018
Name:
6-[3-(3,5-dihydroxybenzoyl)-2,4,6-trihydroxyphenyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl benzoateFormula:
C26H24O12Smiles:
O=C(OC1C(CO)OC(c2c(O)cc(O)c(C(=O)c3cc(O)cc(O)c3)c2O)C(O)C1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(c1cc(O)cc(O)c1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.23 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 528.47 | Num_heavy_atoms: | 38 |
| TPSA: | 214.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
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 |
