Glycoside
GD138560
Name:
3-{[6-({[3,4-dihydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxy-2-pentylbenzoic acidFormula:
C24H36O15Smiles:
CCCCCc1c(C(=O)O)cc(O)c(O)c1OC1OC(COC2OC(CO)C(O)(CO)C2O)C(O)C(O)C1OAglycone:
CCCCCc1c(C(=O)O)cc(O)c(O)c1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1(O)COOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.71 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 12 |
| MolWt: | 564.54 | Num_heavy_atoms: | 39 |
| TPSA: | 256.29 | 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 |
