Glycoside
GD147697
Name:
Bugbanoside EFormula:
C37H54O10Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C2(C)CC(=O)C(C(C)CC(=O)C3OC3(C)C)C12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC(=O)C(C(C)CC(=O)C3OC3(C)C)C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 658.83 | Num_heavy_atoms: | 47 |
| TPSA: | 152.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD59141
Formula: C32H46O6
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC(=O)C(C(C)CC(=O)C3OC3(C)C)C12C| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 526.71 | Num_heavy_atoms: | 38 |
| TPSA: | 93.2 | NumAromaticRings: | 0 |
