Glycoside
GD141913
Name:
3-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triolFormula:
C22H26O11Smiles:
COc1ccc(C2Oc3cc(O)cc(O)c3C(O)C2OC2OC(C(O)CO)C(O)C2O)cc1Aglycone:
COc1ccc(C2Oc3cc(O)cc(O)c3C(O)C2O)cc1Sugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD57133
Formula: C16H16O6
Smiles:
COc1ccc(C2Oc3cc(O)cc(O)c3C(O)C2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
