Glycoside
GD124114
Name:
Kaempferol 3-[2''',3''',5'''-Triacetyl-Alpha-L-Arabinofuranosyl-(1->6)-GlucosideFormula:
C32H34O18Smiles:
CC(=O)OCC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)OC(OCC2OC(O)C(O)C(O)C2O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 706.61 | Num_heavy_atoms: | 50 |
| TPSA: | 267.41 | 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 |
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
