Glycoside
GD002168
Name:
BORAPETOSIDE BFormula:
C27H36O12Smiles:
COC(=O)C1=C[C@H](O)C[C@@H]2[C@]3(C)C[C@H](c4ccoc4)OC(=O)[C@H]3C[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@]12CAglycone:
COC(=O)C1=CC(O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 185.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD02098
Formula: C21H26O7
Smiles:
COC(=O)C1=CC(O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 106.2 | NumAromaticRings: | 1 |
