Glycoside
GD019322
Name:
BRYOAMARIDEFormula:
C36H54O12Smiles:
CC(C)(O)CCC(=O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C=C(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@]12CAglycone:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 678.82 | Num_heavy_atoms: | 48 |
| TPSA: | 211.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD13503
Formula: C30H44O7
Smiles:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 516.68 | Num_heavy_atoms: | 37 |
| TPSA: | 132.13 | NumAromaticRings: | 0 |
