Glycoside
GD111081
Name:
ActeinFormula:
C37H56O11Smiles:
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[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@]1(C)O[C@H]41Aglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 676.84 | Num_heavy_atoms: | 48 |
| TPSA: | 156.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD11634
Formula: C32H48O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41| HBA: | 7 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 544.73 | Num_heavy_atoms: | 39 |
| TPSA: | 97.75 | NumAromaticRings: | 0 |
