Glycoside
GD123715
Name:
Cristatumside AFormula:
C16H24O9Smiles:
COc1cc(C)c(C(=O)OCC(O)C(O)C(O)C(O)CO)c(OC)c1Aglycone:
COc1cc(C)c(C=O)c(OC)c1Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 360.36 | Num_heavy_atoms: | 25 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD49947
Formula: C10H12O3
Smiles:
COc1cc(C)c(C=O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
