Glycoside
GD135844
Name:
3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propyl 3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoateFormula:
C31H42O16Smiles:
COc1cc(CCC(=O)OCCCc2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CCC(=O)OCCCc2ccc(O)c(O)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 14 |
| MolWt: | 670.66 | Num_heavy_atoms: | 47 |
| TPSA: | 254.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD54924
Formula: C19H22O6
Smiles:
COc1cc(CCC(=O)OCCCc2ccc(O)c(O)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
