Glycoside
GD151880
Name:
Rhamnakoside BFormula:
C28H36O17SSmiles:
COC(=O)Oc1c(S)cc(OCC2OC(Oc3ccc(OCC4OC(O)C(O)C(O)C4O)cc3OC)C(O)C(O)C2O)cc1OCAglycone:
COC(=O)Oc1c(S)cc(OC)cc1OC.COc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 676.65 | Num_heavy_atoms: | 46 |
| TPSA: | 241.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD50362
Formula: C8H10O3
Smiles:
COc1ccc(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
AD60525
Formula: C10H12O5S
Smiles:
COC(=O)Oc1c(S)cc(OC)cc1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.27 | Num_heavy_atoms: | 16 |
| TPSA: | 53.99 | NumAromaticRings: | 1 |
