Glycoside
GD001855
Name:
Combretaside AFormula:
C44H76O14Smiles:
CC(=O)O[C@@H]1[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C[C@]2(C)[C@H](CC[C@]3(C)[C@H]2[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C[C@@H]2[C@H]([C@@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)CAglycone:
CC(=O)OC1C(O)CC2(C)C(CCC3(C)C2C(O)CC2C(C(C)(O)CCCC(C)(C)O)CCC23C)C1(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 829.08 | Num_heavy_atoms: | 58 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD01815
Formula: C32H56O6
Smiles:
CC(=O)OC1C(O)CC2(C)C(CCC3(C)C2C(O)CC2C(C(C)(O)CCCC(C)(C)O)CCC23C)C1(C)C| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 5.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 536.79 | Num_heavy_atoms: | 38 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
