Glycoside
GD137877
Name:
Bugbanoside DFormula:
C37H54O11Smiles:
CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C2(C)C(O)C(=O)C(C(C)CC(=O)C3OC3(C)C)C12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)C(O)C(=O)C(C(C)CC(=O)C3OC3(C)C)C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 674.83 | Num_heavy_atoms: | 48 |
| TPSA: | 172.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD55684
Formula: C32H46O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)C(O)C(=O)C(C(C)CC(=O)C3OC3(C)C)C12C| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 542.71 | Num_heavy_atoms: | 39 |
| TPSA: | 113.43 | NumAromaticRings: | 0 |
