Glycoside
GD133662
Name:
Tricalysioside IFormula:
C28H44O11Smiles:
CC(=O)OC1C(O)(COC2OC(CO)C(O)C(O)C2O)C2CCC3C4(C)CCC(O)C(C)(C=O)C4CCC31C2Aglycone:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCC(O)C(C)(C=O)C4CCC31C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 556.65 | Num_heavy_atoms: | 39 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD54083
Formula: C22H34O6
Smiles:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCC(O)C(C)(C=O)C4CCC31C2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.51 | Num_heavy_atoms: | 28 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
