Glycoside
GD009029
Name:
BALSAMINOSIDE BFormula:
C36H60O8Smiles:
CC(C)=C[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@@]3(C)CC[C@]12CAglycone:
CC(C)=CC(O)CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 620.87 | Num_heavy_atoms: | 44 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD07133
Formula: C30H50O3
Smiles:
CC(C)=CC(O)CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
