Glycoside
GD125686
Name:
Limocitrin 7-(6''-Acetylglucoside)Formula:
C25H26O14Smiles:
COc1cc(-c2oc3c(OC)c(OC4OC(COC(C)=O)C(O)C(O)C4O)cc(O)c3c(=O)c2O)ccc1OAglycone:
COC(C)=O.COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 550.47 | Num_heavy_atoms: | 39 |
| TPSA: | 214.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD47081
Formula: C17H14O8
Smiles:
COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
