Glycoside
GD142941
Name:
2-[(5-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-7-(hydroxymethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H40O18Smiles:
OCC1=CC(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
OCC1=CC(O)C2C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.85 |
| AlogP: | -6.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 640.59 | Num_heavy_atoms: | 44 |
| TPSA: | 287.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD06320
Formula: C9H12O4
Smiles:
OCC1=CC(O)C2C=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
