Glycoside
GD147108
Name:
tarecilioside jFormula:
C48H80O19Smiles:
CC(CCC(=O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1C(O)CC2(C)C3C(O)CC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(CCC(=O)C(C)(C)O)C1C(O)CC2(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.98 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 961.15 | Num_heavy_atoms: | 67 |
| TPSA: | 315.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD48100
Formula: C30H50O5
Smiles:
CC(CCC(=O)C(C)(C)O)C1C(O)CC2(C)C3C(O)CC4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
