Glycoside
GD156314
Name:
2-{[6-(benzyloxy)-5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}oxane-3,4,5-triolFormula:
C23H34O14Smiles:
OCC1(O)COC(OC2C(OCc3ccccc3)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C1OAglycone:
OCc1ccccc1Sugarmoiety:
OCC1(O)COC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.74 |
| AlogP: | -4.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.51 | Num_heavy_atoms: | 37 |
| TPSA: | 217.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
