Glycoside
GD146700
Name:
3-(2H-1,3-benzodioxol-5-yl)-7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C27H28O14Smiles:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)ccc12Aglycone:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.51 | Num_heavy_atoms: | 41 |
| TPSA: | 206.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD04500
Formula: C16H10O5
Smiles:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.25 | Num_heavy_atoms: | 21 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
