Glycoside
GD137348
Name:
Cyclopassifloside IiiFormula:
C43H72O16Smiles:
CC(CCC(O)(COC1OC(CO)C(O)C(O)C1O)C(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C45CC35CCC12CAglycone:
CC(CCC(O)(CO)C(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.98 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 845.03 | Num_heavy_atoms: | 59 |
| TPSA: | 276.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD55492
Formula: C31H52O6
Smiles:
CC(CCC(O)(CO)C(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.75 | Num_heavy_atoms: | 37 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
