Glycoside
GD140796
Name:
2-{3-methoxy-5-[2-(4-methoxyphenyl)ethenyl]phenoxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C28H36O12Smiles:
COc1ccc(C=Cc2cc(OC)cc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c2)cc1Aglycone:
COc1ccc(C=Cc2cc(O)cc(OC)c2)cc1Sugarmoiety:
CC1OC(OCC2OOC(O)C(O)C2O)C(O)C(O)C1O.COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.58 | Num_heavy_atoms: | 40 |
| TPSA: | 176.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD22084
Formula: C16H16O3
Smiles:
COc1ccc(C=Cc2cc(O)cc(OC)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.3 | Num_heavy_atoms: | 19 |
| TPSA: | 38.69 | NumAromaticRings: | 2 |
