Glycoside
GD013292
Name:
NoneFormula:
C37H62O8Smiles:
CO[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC(=O)[C@@H]2[C@H]([C@](C)(CCC=C(C)C)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]23C)C1(C)CAglycone:
COC1CCC2(C)C(CCC3(C)C2CC(=O)C2C(C(C)(O)CCC=C(C)C)CCC23C)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.9 | Num_heavy_atoms: | 45 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD09938
Formula: C31H52O3
Smiles:
COC1CCC2(C)C(CCC3(C)C2CC(=O)C2C(C(C)(O)CCC=C(C)C)CCC23C)C1(C)C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 7.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.75 | Num_heavy_atoms: | 34 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
