Glycoside
GD123117
Name:
2-[4-(2,6-dihydroxybenzoyl)-2-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H20O10Smiles:
O=C(c1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)c1c(O)cccc1OAglycone:
O=C(c1ccc(O)c(O)c1)c1c(O)cccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.36 | Num_heavy_atoms: | 29 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD49660
Formula: C13H10O5
Smiles:
O=C(c1ccc(O)c(O)c1)c1c(O)cccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.22 | Num_heavy_atoms: | 18 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
