Glycoside
GD017495
Name:
Coloside AFormula:
C38H54O13Smiles:
CC(=O)OC(C)(C)C=CC(=O)[C@@](C)(O)C1[C@H](O)C[C@]2(C)C3CC=C4C(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(=O)OC(C)(C)C=CC(=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: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 718.84 | Num_heavy_atoms: | 51 |
| TPSA: | 217.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD12337
Formula: C32H44O8
Smiles:
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 556.7 | Num_heavy_atoms: | 40 |
| TPSA: | 138.2 | NumAromaticRings: | 0 |
