Glycoside
GD114804
Name:
3-hydroxy-2-(2-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyl)-5-(hydroxymethyl)benzoic acidFormula:
C21H22O12Smiles:
O=C(O)c1cc(CO)cc(O)c1C(=O)c1c(O)cccc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)c1cc(CO)cc(O)c1C(=O)c1c(O)cccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 214.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD45295
Formula: C15H12O7
Smiles:
O=C(O)c1cc(CO)cc(O)c1C(=O)c1c(O)cccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
