Glycoside
GD115303
Name:
AdonitoxinFormula:
C29H42O10Smiles:
CC1OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CC(O)C2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 550.65 | Num_heavy_atoms: | 39 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD45587
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CC(O)C2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
