Glycoside
GD122485
Name:
2-(2H-1,3-benzodioxol-5-yl)-6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-4H-chromen-4-oneFormula:
C27H28O15Smiles:
O=c1c(O)c(-c2ccc3c(c2)OCO3)oc2ccc(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc12Aglycone:
O=c1c(O)c(-c2ccc3c(c2)OCO3)oc2ccc(O)cc12Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.51 | Num_heavy_atoms: | 42 |
| TPSA: | 227.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD49361
Formula: C16H10O6
Smiles:
O=c1c(O)c(-c2ccc3c(c2)OCO3)oc2ccc(O)cc12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.25 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
