Glycoside
GD120624
Name:
Fattiviracin Fv-13Formula:
C76H140O28Smiles:
CC(O)CCCCCCCCCC(CCCCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCC(CCCCCCCC(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)CCCCCCCCCC(O)CCCCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCC(O)CCCCCCCC(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: | 0.97 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 50 |
| MolWt: | 1501.93 | Num_heavy_atoms: | 104 |
| TPSA: | 450.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD48482
Formula: C64H120O18
Smiles:
CC(O)CCCCCCCCCC(O)CCCCCCCCCCCCCC1CC(=O)OCC2OC(OC(CCCCCCCCCCCC(O)CCCCCCCC(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: | 9.34 | Num_rotatable_bonds: | 44 |
| MolWt: | 1177.65 | Num_heavy_atoms: | 82 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
