Glycoside
GD031733
Name:
KELAMPAYOSIDE AFormula:
C20H30O11Smiles:
COc1cc(O[C@@H]2C[C@H](O)C[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)O2)cc(OC)c1OCAglycone:
COc1cc(OC2CC(O)CC(CO)O2)cc(OC)c1OCSugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 446.45 | Num_heavy_atoms: | 31 |
| TPSA: | 145.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD20428
Formula: C15H22O7
Smiles:
COc1cc(OC2CC(O)CC(CO)O2)cc(OC)c1OC| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 314.33 | Num_heavy_atoms: | 22 |
| TPSA: | 86.61 | NumAromaticRings: | 1 |
