Glycoside
GD131510
Name:
Curassavioside G3Formula:
C56H82O19Smiles:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=Cc6ccccc6)C6(C)C(O)(C(C)=O)CCC76O)C5)OC4C)CC3OC)OC2C)OC(C)C1OAglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4C(O)CC(O)OC4C)CC3OC)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 14 |
| MolWt: | 1059.25 | Num_heavy_atoms: | 75 |
| TPSA: | 257.05 | 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 |
