Glycoside
GD014054
Name:
BALSAMINOSIDE AFormula:
C37H62O8Smiles:
COC(C)(C)C=CC[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:
COC(C)(C)C=CCC(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: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.89 | Num_heavy_atoms: | 45 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD10404
Formula: C31H52O3
Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C)CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.75 | Num_heavy_atoms: | 34 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
