Glycoside
GD107662
Name:
13-hydroxy-3,6,6,14-tetramethyl-2-oxo-10-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)tricyclo[10.3.0.0âµ,â·]pentadeca-3,10-dien-1-yl acetateFormula:
C28H42O10Smiles:
CC(=O)O[C@]12C[C@H](C)[C@H](O)[C@H]1/C=C(/CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)CC[C@@H]1[C@H](/C=C(\C)C2=O)C1(C)CAglycone:
CC(=O)OC12CC(C)C(O)C1C=C(CO)CCC1C(C=C(C)C2=O)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 538.63 | Num_heavy_atoms: | 38 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD44336
Formula: C22H32O5
Smiles:
CC(=O)OC12CC(C)C(O)C1C=C(CO)CCC1C(C=C(C)C2=O)C1(C)C| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 376.49 | Num_heavy_atoms: | 27 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
