Glycoside
GD135078
Name:
Cyclopassifloside ViiFormula:
C37H62O13Smiles:
CC(C)C(O)(CO)CCC(C)(O)C1C(O)CC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C45CC35CCC12CAglycone:
CC(C)C(O)(CO)CCC(C)(O)C1C(O)CC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.97 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 714.89 | Num_heavy_atoms: | 50 |
| TPSA: | 237.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD54631
Formula: C31H52O8
Smiles:
CC(C)C(O)(CO)CCC(C)(O)C1C(O)CC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.75 | Num_heavy_atoms: | 39 |
| TPSA: | 158.68 | NumAromaticRings: | 0 |
