Glycoside
GD116970
Name:
Tricalysioside FFormula:
C28H40O11Smiles:
CC(=O)OC1C23CCC4C5=CC(=O)OC5CCC4(C)C2CCC(C3)C1(CO)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCC5OC(=O)C=C5C4CCC31C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.62 | Num_heavy_atoms: | 39 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD46559
Formula: C22H30O6
Smiles:
CC(=O)OC1C(O)(CO)C2CCC3C4(C)CCC5OC(=O)C=C5C4CCC31C2| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.48 | Num_heavy_atoms: | 28 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
