Glycoside
...
GD031888

Name:
None

Formula:
C46H55O11N6F

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](O)C[C@H](O)CCn2c(-c3ccc(F)cc3)c(-c3ccccc3)c(C(=O)Nc3ccccc3)c2C(C)C)nn1

Aglycone:
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)OCc1cn(CCO)nn1

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

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 7 FractionCSP3: 0.41
AlogP: 3.52 Num_rotatable_bonds: 20
MolWt: 886.98 Num_heavy_atoms: 64
TPSA: 239.75 NumAromaticRings: 5

Unique Aglycone
AD20508
Formula: C38H42O6N5F

Smiles:
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)OCc1cn(CCO)nn1
HBA: 11 RingCount: 5
HBD: 4 FractionCSP3: 0.32
AlogP: 5.56 Num_rotatable_bonds: 16
MolWt: 683.78 Num_heavy_atoms: 50
TPSA: 151.73 NumAromaticRings: 5

Sugarmoiety
SD00014

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