Glycoside
GD157887
Name:
2-(hydroxymethyl)-6-{2,3,4-trimethoxy-5-[3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propyl]phenoxy}oxane-3,4,5-triolFormula:
C31H44O16Smiles:
COc1cc(CCCc2cc(OC3OC(CO)C(O)C(O)C3O)c(OC)c(OC)c2OC)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CCCc2cc(O)c(OC)c(OC)c2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 14 |
| MolWt: | 672.68 | Num_heavy_atoms: | 47 |
| TPSA: | 235.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD62373
Formula: C19H24O6
Smiles:
COc1cc(CCCc2cc(O)c(OC)c(OC)c2OC)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 348.4 | Num_heavy_atoms: | 25 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
