Glycoside
GD135921
Name:
2-{3-hydroxy-2-[(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H32O13Smiles:
OCC1OC(Oc2ccccc2Cc2c(O)cccc2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1ccccc1Cc1c(O)cccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 218.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD54948
Formula: C13H12O3
Smiles:
Oc1ccccc1Cc1c(O)cccc1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 216.24 | Num_heavy_atoms: | 16 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
