Glycoside
GD141805
Name:
(5-hydroxy-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl)methyl benzoateFormula:
C28H36O15Smiles:
O=C(OCC1=CC(O)C2C=COC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C12)c1ccccc1Aglycone:
O=C(OCC1=CC(O)C2C=COC(O)C12)c1ccccc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.58 | Num_heavy_atoms: | 43 |
| TPSA: | 234.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD40835
Formula: C16H16O5
Smiles:
O=C(OCC1=CC(O)C2C=COC(O)C12)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
