Glycoside
GD120257
Name:
5-(3-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-octahydro-2H-1-benzopyran-2-yl)benzene-1,2,3-triolFormula:
C21H30O12Smiles:
OCC1OC(CO)(OC2CC3C(O)CC(O)CC3OC2c2cc(O)c(O)c(O)c2)C(O)C1OAglycone:
Oc1cc(C2OC3CC(O)CC(O)C3CC2O)cc(O)c1OSugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.46 | Num_heavy_atoms: | 33 |
| TPSA: | 209.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD48284
Formula: C15H20O7
Smiles:
Oc1cc(C2OC3CC(O)CC(O)C3CC2O)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 312.32 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 1 |
