Glycoside
GD114965
Name:
2-{2,6-dimethoxy-4-[2-(7-methoxy-2H-1,3-benzodioxol-5-yl)ethyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H30O11Smiles:
COc1cc(CCc2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc2c1OCO2Aglycone:
COc1cc(CCc2cc(OC)c3c(c2)OCO3)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 494.49 | Num_heavy_atoms: | 35 |
| TPSA: | 145.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD45385
Formula: C18H20O6
Smiles:
COc1cc(CCc2cc(OC)c3c(c2)OCO3)cc(OC)c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 332.35 | Num_heavy_atoms: | 24 |
| TPSA: | 66.38 | NumAromaticRings: | 2 |
