Glycoside
GD140198
Name:
Kidjoranin GlycosideFormula:
C36H48O10Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(OC5CC(O)C(O)C(C)O5)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CAglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 640.77 | Num_heavy_atoms: | 46 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00401
Formula: C30H38O7
Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.63 | Num_heavy_atoms: | 37 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
