Glycoside
GD121166
Name:
Brainesteroside AFormula:
C33H52O11Smiles:
CC(C)CCC(O)C(C)(O)C1CC2OC23C2=CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)C(O)CC4(C)C2CCC13CAglycone:
CC(C)CCC(O)C(C)(O)C1CC2OC23C2=CC(=O)C4CC(O)C(O)CC4(C)C2CCC13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 624.77 | Num_heavy_atoms: | 44 |
| TPSA: | 189.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD48743
Formula: C27H42O6
Smiles:
CC(C)CCC(O)C(C)(O)C1CC2OC23C2=CC(=O)C4CC(O)C(O)CC4(C)C2CCC13C| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 110.52 | NumAromaticRings: | 0 |
