Glycoside
GD123906
Name:
Tricalysionoside AFormula:
C25H42O13Smiles:
CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 550.6 | Num_heavy_atoms: | 38 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD04879
Formula: C13H22O3
Smiles:
CC1=CC(=O)CC(C)(C)C1(O)CCC(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
