Glycoside
GD149548
Name:
apodytine bFormula:
C59H92O27Smiles:
CC(=O)OC1C(OC(=O)CC(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C21COAglycone:
CC(=O)OC1C(OC(=O)CC(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C21COSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.9 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 16 |
| MolWt: | 1233.36 | Num_heavy_atoms: | 86 |
| TPSA: | 423.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD57807
Formula: C37H58O8
Smiles:
CC(=O)OC1C(OC(=O)CC(C)C)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C21CO| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 630.86 | Num_heavy_atoms: | 45 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
