Glycoside
GD131429
Name:
Tricalysioside OFormula:
C28H46O12Smiles:
CC(=O)OC1C(O)(COC2OC(CO)C(O)C(O)C2O)C2CCC3C4(C)CCC(O)C(CO)(CO)C4CCC31C2Aglycone:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCC(O)C(CO)(CO)C4CCC31C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 574.66 | Num_heavy_atoms: | 40 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD53247
Formula: C22H36O7
Smiles:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCC(O)C(CO)(CO)C4CCC31C2| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.52 | Num_heavy_atoms: | 29 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
