Glycoside
GD114898
Name:
2-{[3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H26O11Smiles:
COc1ccc(C2Oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3CC2O)cc1OAglycone:
COc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD45348
Formula: C16H16O6
Smiles:
COc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
