Glycoside
GD022787
Name:
Combretaside CFormula:
C44H74O13Smiles:
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)=CCCC(C)(C)O)CC[C@]23C)C1(C)CAglycone:
CC(=O)OC1C(O)CC2(C)C(CCC3(C)C2C(O)CC2C(C(C)=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: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 811.06 | Num_heavy_atoms: | 57 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD15406
Formula: C32H54O5
Smiles:
CC(=O)OC1C(O)CC2(C)C(CCC3(C)C2C(O)CC2C(C(C)=CCCC(C)(C)O)CCC23C)C1(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.78 | Num_heavy_atoms: | 37 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
