Glycoside
GD119831
Name:
2-(hydroxymethyl)-6-{3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy}oxane-3,4,5-triolFormula:
C22H28O8Smiles:
COc1cccc(CCc2cc(OC)cc(OC3OC(CO)C(O)C(O)C3O)c2)c1Aglycone:
COc1cccc(CCc2cc(O)cc(OC)c2)c1Sugarmoiety:
CO.OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD48070
Formula: C16H18O3
Smiles:
COc1cccc(CCc2cc(O)cc(OC)c2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 258.32 | Num_heavy_atoms: | 19 |
| TPSA: | 38.69 | NumAromaticRings: | 2 |
