Glycoside
GD139343
Name:
Umbilicaxanthoside BFormula:
C36H46O16Smiles:
COc1cc(CC=C(C)C)c(O)c2c(=O)c3c(CC=C(C)C)c(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)cc(O)c3oc12Aglycone:
COc1cc(CC=C(C)C)c(O)c2c(=O)c3c(CC=C(C)C)c(O)cc(O)c3oc12Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 11 |
| MolWt: | 734.75 | Num_heavy_atoms: | 52 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD56187
Formula: C24H26O6
Smiles:
COc1cc(CC=C(C)C)c(O)c2c(=O)c3c(CC=C(C)C)c(O)cc(O)c3oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.47 | Num_heavy_atoms: | 30 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
