Glycoside
GD141925
Name:
Limocitrin 7-NeohesperidosideFormula:
C29H34O17Smiles:
COc1cc(-c2oc3c(OC)c(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2O)ccc1OAglycone:
COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.57 | Num_heavy_atoms: | 46 |
| TPSA: | 267.66 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
