Glycoside
GD004567
Name:
Actaeaepoxide 3-O-Beta-D-XylopyranosideFormula:
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=C3[C@]2(C)C[C@@H]3O[C@]4(O[C@H]4C(C)(C)O)[C@H](O)[C@H](C)[C@H]3[C@]12CAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3OC4(OC4C(C)(C)O)C(O)C(C)C3C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 676.84 | Num_heavy_atoms: | 48 |
| TPSA: | 167.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD03969
Formula: C32H48O7
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3OC4(OC4C(C)(C)O)C(O)C(C)C3C12C| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 544.73 | Num_heavy_atoms: | 39 |
| TPSA: | 108.75 | NumAromaticRings: | 0 |
