Glycoside
GD019077
Name:
NoneFormula:
C42H67O14NF6Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CCOC(C(F)(F)F)C(F)(F)F)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCOC(C(F)(F)F)C(F)(F)F)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 13 |
| MolWt: | 923.98 | Num_heavy_atoms: | 63 |
| TPSA: | 192.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD13362
Formula: C26H38O7F6
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCOC(C(F)(F)F)C(F)(F)F)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 576.57 | Num_heavy_atoms: | 39 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
