Glycoside
GD122838
Name:
3-[(6-{[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C32H38O19Smiles:
O=c1c(OC2OC(COC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)ccc12Aglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12Sugarmoiety:
OCC1OC(OC2COC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | -3.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 726.64 | Num_heavy_atoms: | 51 |
| TPSA: | 308.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD00807
Formula: C15H10O5
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
