Glycoside
GD129579
Name:
Fattiviracin A1Formula:
C83H154O28Smiles:
CC(O)CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCCCC(CCCCCC(C)O)OC3OC(CO)C(O)C(O)C3O)CC(=O)OCC3OC(O1)C(O)C(O)C3O)C(O)C(O)C2O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)CCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCCCC(O)CCCCCC(C)O)CC(=O)OCC3OC(O1)C(O)C(O)C3O)C(O)C(O)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 5 |
| HBD: | 16 | FractionCSP3: | 0.98 |
| AlogP: | 7.72 | Num_rotatable_bonds: | 57 |
| MolWt: | 1600.12 | Num_heavy_atoms: | 111 |
| TPSA: | 450.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD52493
Formula: C71H134O18
Smiles:
CC(O)CCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCC1CC(=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: | 12.07 | Num_rotatable_bonds: | 51 |
| MolWt: | 1275.84 | Num_heavy_atoms: | 89 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
