Glycoside
GD148010
Name:
Cycloviracin B1Formula:
C83H152O33Smiles:
COC1C(OC(C)CCCCCC(CCCCCCCCCCCCCCCC2CC(=O)OCC3OC(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)OC2OC(CO)C(O)C(O)C2OC)OC(CO)C(O)C1OAglycone:
CC(O)CCCCCC(O)CCCCCCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCCCC(O)CCCCCC(C)O)CC(=O)OCC3OC(O1)C(O)C(O)C3O)C(O)C(O)C2OSugarmoiety:
COC1C(O)OC(CO)C(O)C1O.COC1C(O)OC(CO)C(O)C1O.COC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 6 |
| HBD: | 16 | FractionCSP3: | 0.98 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 54 |
| MolWt: | 1678.1 | Num_heavy_atoms: | 116 |
| TPSA: | 496.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD59245
Formula: C62H116O18
Smiles:
CC(O)CCCCCC(O)CCCCCCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCCCC(O)CCCCCC(C)O)CC(=O)OCC3OC(O1)C(O)C(O)C3O)C(O)C(O)C2O| HBA: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.97 |
| AlogP: | 8.56 | Num_rotatable_bonds: | 42 |
| MolWt: | 1149.59 | Num_heavy_atoms: | 80 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
