Glycoside
GD133566
Name:
2-(hydroxymethyl)-6-{3-[2-(3-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethyl]phenyl}oxane-3,4,5-triolFormula:
C27H36O12Smiles:
COc1cc(CCc2cccc(C3OC(CO)C(O)C(O)C3O)c2)cc(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
COc1cc(O)cc(CCc2ccccc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 198.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD54051
Formula: C15H16O2
Smiles:
COc1cc(O)cc(CCc2ccccc2)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 228.29 | Num_heavy_atoms: | 17 |
| TPSA: | 29.46 | NumAromaticRings: | 2 |
