Glycoside
GD125863
Name:
Kaempferol 7-Methyl Ether 3-(6-(E)-3,5-Dimethoxy-4-Hydroxycinnamoylglucosyl)-(1->2)-[Rhamnosyl-(1->6)-Glucoside]Formula:
C45H52O24Smiles:
COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OC(COC(=O)C=Cc4cc(OC)c(O)c(OC)c4)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1Aglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.47 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 15 |
| MolWt: | 976.89 | Num_heavy_atoms: | 69 |
| TPSA: | 362.11 | NumAromaticRings: | 4 |
Unique Aglycone
AD01882
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | 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 |
