Glycoside
GD005405
Name:
NoneFormula:
C34H35O11N2FSSmiles:
CS(=O)(=O)NCC#Cc1ccc(N2C(=O)[C@H](CC[C@H](O)c3ccc(F)cc3)[C@H]2c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1Aglycone:
CS(=O)(=O)NCC#Cc1ccc(N2C(=O)C(CCC(O)c3ccc(F)cc3)C2c2ccc(O)cc2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 698.72 | Num_heavy_atoms: | 49 |
| TPSA: | 203.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD04596
Formula: C28H27O5N2FS
Smiles:
CS(=O)(=O)NCC#Cc1ccc(N2C(=O)C(CCC(O)c3ccc(F)cc3)C2c2ccc(O)cc2)cc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.6 | Num_heavy_atoms: | 37 |
| TPSA: | 106.94 | NumAromaticRings: | 3 |
