Glycoside
GD152287
Name:
Thevetin AFormula:
C42H64O19Smiles:
COC1C(O)C(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 872.96 | Num_heavy_atoms: | 61 |
| TPSA: | 290.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD01563
Formula: C23H32O5
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
