Glycoside
GD127773
Name:
benzyl 2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoateFormula:
C26H32O13Smiles:
O=C(OCc1ccccc1)c1ccccc1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(OCc1ccccc1)c1ccccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD45249
Formula: C14H12O3
Smiles:
O=C(OCc1ccccc1)c1ccccc1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
