Glycoside
GD130239
Name:
Kaempferol 3-Glucosyl-(1->4)(6'''-Sinapylglucosyl)(1->2)-GalactosideFormula:
C44H50O25Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3C(Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)OC(CO)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(OC2C(O)OC(OC3C(O)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.45 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 15 |
| MolWt: | 978.86 | Num_heavy_atoms: | 69 |
| TPSA: | 393.34 | NumAromaticRings: | 4 |
Unique Aglycone
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 |
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
