Glycoside
GD150474
Name:
Curassavioside E2Formula:
C53H78O19Smiles:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)c6ccccc6)C6(C)C(O)(C(C)=O)CCC76O)C5)OC4C)OC3C)OC2C)OC(C)C1OAglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12CSugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 12 |
| MolWt: | 1019.19 | Num_heavy_atoms: | 72 |
| TPSA: | 268.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD11133
Formula: C28H36O7
Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 484.59 | Num_heavy_atoms: | 35 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
