Glycoside
...
GD011061

Name:
None

Formula:
C49H59O11N6F

Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCn1cc(COC(=O)C[C@@H]2C[C@H](CCn3c(-c4ccc(F)cc4)c(-c4ccccc4)c(C(=O)Nc4ccccc4)c3C(C)C)OC(C)(C)O2)nn1

Aglycone:
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC1CC(CC(=O)OCc2cn(CCO)nn2)OC(C)(C)O1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 5 FractionCSP3: 0.45
AlogP: 5.32 Num_rotatable_bonds: 18
MolWt: 927.04 Num_heavy_atoms: 67
TPSA: 217.75 NumAromaticRings: 5

Unique Aglycone
AD08481
Formula: C41H46O6N5F

Smiles:
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC1CC(CC(=O)OCc2cn(CCO)nn2)OC(C)(C)O1
HBA: 11 RingCount: 6
HBD: 2 FractionCSP3: 0.37
AlogP: 7.35 Num_rotatable_bonds: 14
MolWt: 723.85 Num_heavy_atoms: 53
TPSA: 129.73 NumAromaticRings: 5

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O