Glycoside
GD114755
Name:
Tricalysioside SFormula:
C28H46O10Smiles:
CC(=O)OC1C(O)(COC2OC(CO)C(O)C(O)C2O)C2CCC3C4(C)CCCC(C)(CO)C4CCC31C2Aglycone:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCCC(C)(CO)C4CCC31C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 542.67 | Num_heavy_atoms: | 38 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD45262
Formula: C22H36O5
Smiles:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCCC(C)(CO)C4CCC31C2| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.53 | Num_heavy_atoms: | 27 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
