Glycoside
GD011138
Name:
NoneFormula:
C28H38O10Smiles:
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4C(=O)O[C@@H]5CO[C@]6(C)OC(=O)C(=CC[C@H]43)[C@H]56)C2)O[C@@H](C)[C@H]1OAglycone:
CC12OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C(C(=O)O1)C32Sugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 534.6 | Num_heavy_atoms: | 38 |
| TPSA: | 129.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD02276
Formula: C21H26O6
Smiles:
CC12OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C(C(=O)O1)C32| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 374.43 | Num_heavy_atoms: | 27 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
