Glycoside
GD144388
Name:
Cycloviracin-B1Formula:
C85H156O31Smiles:
COC1C(OC(CCCCCCCCCCCCCCCC2CC(=O)CCC3OC(OC(CCCCCCCCCCCCCC(CCCCCC(C)O)OC4OC(CO)C(O)C(O)C4OC)CC(=O)OCC4OC(O2)C(O)C(O)C4O)C(O)C(O)C3O)CCCCCC(C)OC2OC(CO)C(O)C(O)C2OC)CC(CO)C(O)C1OAglycone:
COC1C(OC(CCCCCCCCCCCCCCCC2CC(=O)CCC3OC(OC(CCCCCCCCCCCCCC(O)CCCCCC(C)O)CC(=O)OCC4OC(O2)C(O)C(O)C4O)C(O)C(O)C3O)CCCCCC(C)O)CC(CO)C(O)C1OSugarmoiety:
COC1C(O)OC(CO)C(O)C1O.COC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 6 |
| HBD: | 16 | FractionCSP3: | 0.98 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 54 |
| MolWt: | 1674.15 | Num_heavy_atoms: | 116 |
| TPSA: | 477.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD58029
Formula: C71H132O21
Smiles:
COC1C(OC(CCCCCCCCCCCCCCCC2CC(=O)CCC3OC(OC(CCCCCCCCCCCCCC(O)CCCCCC(C)O)CC(=O)OCC4OC(O2)C(O)C(O)C4O)C(O)C(O)C3O)CCCCCC(C)O)CC(CO)C(O)C1O| HBA: | 21 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.97 |
| AlogP: | 8.51 | Num_rotatable_bonds: | 46 |
| MolWt: | 1321.82 | Num_heavy_atoms: | 92 |
| TPSA: | 341.51 | NumAromaticRings: | 0 |
