Glycoside
GD025652
Name:
OLEANDRINFormula:
C31H46O9Smiles:
CC(=O)O[C@@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5C[C@H](O)[C@H](O)[C@H](C)O5)CC[C@@]4(C)[C@H]3CC[C@@]2(C)[C@H]1C1=CC(=O)OC1Aglycone:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 562.7 | Num_heavy_atoms: | 40 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD01727
Formula: C25H36O6
Smiles:
CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.56 | Num_heavy_atoms: | 31 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
