Glycoside
GD147419
Name:
4-{[3-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-3-(octadecanoyloxy)benzoic acidFormula:
C40H64O17Smiles:
CCCCCCCCCCCCCCCCCC(=O)Oc1cc(C(=O)O)ccc1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCC(=O)Oc1cc(C(=O)O)ccc1OSugarmoiety:
OC1COC(OC2C(OC3C(O)OCC(O)C3O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 24 |
| MolWt: | 816.94 | Num_heavy_atoms: | 57 |
| TPSA: | 260.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD59038
Formula: C25H40O5
Smiles:
CCCCCCCCCCCCCCCCCC(=O)Oc1cc(C(=O)O)ccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 7.26 | Num_rotatable_bonds: | 18 |
| MolWt: | 420.59 | Num_heavy_atoms: | 30 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
