Glycoside
GD122456
Name:
Umbilicaxanthoside AFormula:
C25H28O11Smiles:
COc1cc(CC=C(C)C)c(O)c2c(=O)c3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3oc12Aglycone:
COc1cc(CC=C(C)C)c(O)c2c(=O)c3cc(O)cc(O)c3oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.49 | Num_heavy_atoms: | 36 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD49344
Formula: C19H18O6
Smiles:
COc1cc(CC=C(C)C)c(O)c2c(=O)c3cc(O)cc(O)c3oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.35 | Num_heavy_atoms: | 25 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
