Glycoside
GD117548
Name:
Spongipregnoloside AFormula:
C33H50O11Smiles:
CC(=O)C1=CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 622.75 | Num_heavy_atoms: | 44 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD06271
Formula: C21H30O2
Smiles:
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.47 | Num_heavy_atoms: | 23 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
