Glycoside
GD115301
Name:
Tricalysioside NFormula:
C28H46O11Smiles:
CC(=O)OC1C(O)(COC2OC(CO)C(O)C(O)C2O)C2CCC3C4(C)CCC(O)C(C)(CO)C4CCC31C2Aglycone:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCC(O)C(C)(CO)C4CCC31C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 558.67 | Num_heavy_atoms: | 39 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD45586
Formula: C22H36O6
Smiles:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCC(O)C(C)(CO)C4CCC31C2| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 396.52 | Num_heavy_atoms: | 28 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
