Glycoside
GD149290
Name:
2-[3-hydroxy-5-(2,4,6-trihydroxybenzoyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H20O11Smiles:
O=C(c1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1)c1c(O)cc(O)cc1OAglycone:
O=C(c1cc(O)cc(O)c1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.36 | Num_heavy_atoms: | 30 |
| TPSA: | 197.37 | 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 |
