Glycoside
GD152996
Name:
Laetiposide GFormula:
C37H60O9Smiles:
C=C(CCC(C(=O)OC1OC(CO)C(O)C(O)C1O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)CAglycone:
C=C(CCC(C(=O)O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 648.88 | Num_heavy_atoms: | 46 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD60876
Formula: C31H50O4
Smiles:
C=C(CCC(C(=O)O)C1CC(O)C2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
