Glycoside
GD118313
Name:
oleandigosideFormula:
C37H54O10Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(CCC56OC57CC=C(C5=CC(=O)OC5)C7(C)CCC46)C3)CC2OC)OC(C)C1OAglycone:
CC12CCC(O)CC1CCC13OC14CC=C(C1=CC(=O)OC1)C4(C)CCC23Sugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 658.83 | Num_heavy_atoms: | 47 |
| TPSA: | 114.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD07493
Formula: C23H30O4
Smiles:
CC12CCC(O)CC1CCC13OC14CC=C(C1=CC(=O)OC1)C4(C)CCC23| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 370.49 | Num_heavy_atoms: | 27 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
