Glycoside
GD117910
Name:
Limocitrin 3-RhamnosideFormula:
C23H24O12Smiles:
COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3c(OC)c(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| TPSA: | 188.51 | 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 |
