Glycoside
GD119829
Name:
Fattiviracin Fv-9Formula:
C72H132O28Smiles:
CC(O)CCCCCCCC(CCCCCCCCCCCC1CC(=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)CCCCCCCC(O)CCCCCCCCCCCC1CC(=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: | 0.97 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 46 |
| MolWt: | 1445.82 | Num_heavy_atoms: | 100 |
| TPSA: | 450.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD48069
Formula: C60H112O18
Smiles:
CC(O)CCCCCCCC(O)CCCCCCCCCCCC1CC(=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: | 7.78 | Num_rotatable_bonds: | 40 |
| MolWt: | 1121.54 | Num_heavy_atoms: | 78 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
