Glycoside
GD031620
Name:
NoneFormula:
C37H54O11Smiles:
CC(=O)O[C@@H]1C[C@]23C[C@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]4CC=C3[C@]2(C)C[C@]3(O)O[C@H](C(=O)[C@@H]4OC4(C)C)[C@H](C)[C@H]3[C@]12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3(O)OC(C(=O)C4OC4(C)C)C(C)C3C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 674.83 | Num_heavy_atoms: | 48 |
| TPSA: | 164.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD20218
Formula: C32H46O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3(O)OC(C(=O)C4OC4(C)C)C(C)C3C12C| HBA: | 7 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 542.71 | Num_heavy_atoms: | 39 |
| TPSA: | 105.59 | NumAromaticRings: | 0 |
