Glycoside
GD154201
Name:
Cycloviracin B2Formula:
C83H150O33Smiles:
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)CCCCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCCCCCC(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: | 15 | FractionCSP3: | 0.96 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 54 |
| MolWt: | 1676.08 | Num_heavy_atoms: | 116 |
| TPSA: | 493.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD61280
Formula: C62H114O18
Smiles:
CC(=O)CCCCCC(O)CCCCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCCCCCC(O)CCCCCC(C)O)CC(=O)OCC3OC(O1)C(O)C(O)C3O)C(O)C(O)C2O| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 8.77 | Num_rotatable_bonds: | 42 |
| MolWt: | 1147.58 | Num_heavy_atoms: | 80 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
