Glycoside
GD140645
Name:
4,5-dihydroxy-2-pentyl-3-{[3,4,5-trihydroxy-6-({[2,3,4-trihydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoic acidFormula:
C24H36O16Smiles:
CCCCCc1c(C(=O)O)cc(O)c(O)c1OC1OC(COC2(O)OC(CO)C(O)(CO)C2O)C(O)C(O)C1OAglycone:
CCCCCc1c(C(=O)O)cc(O)c(O)c1OSugarmoiety:
OCC1OC(O)(OCC2OC(O)C(O)C(O)C2O)C(O)C1(O)COOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.71 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 580.54 | Num_heavy_atoms: | 40 |
| TPSA: | 276.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD50025
Formula: C12H16O5
Smiles:
CCCCCc1c(C(=O)O)cc(O)c(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 240.25 | Num_heavy_atoms: | 17 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
