Glycoside
...
GD022813

Name:
None

Formula:
C41H41O6N8F3S

Smiles:
Nc1nc(NCCCCCCNC(=O)c2ccc(-c3sc(N)c(C(=O)c4ccccc4)c3-c3cccc(C(F)(F)F)c3)cc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1

Aglycone:
Nc1nc2c(c(NCCCCCCNC(=O)c3ccc(-c4sc(N)c(C(=O)c5ccccc5)c4-c4cccc(C(F)(F)F)c4)cc3)n1)N=C[N]2

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 9 FractionCSP3: 0.29
AlogP: 5.65 Num_rotatable_bonds: 15
MolWt: 830.89 Num_heavy_atoms: 59
TPSA: 223.76 NumAromaticRings: 6

Unique Aglycone
AD15419
Formula: C36H32O2N8F3S

Smiles:
Nc1nc2c(c(NCCCCCCNC(=O)c3ccc(-c4sc(N)c(C(=O)c5ccccc5)c4-c4cccc(C(F)(F)F)c4)cc3)n1)N=C[N]2
HBA: 10 RingCount: 6
HBD: 6 FractionCSP3: 0.19
AlogP: 7.6 Num_rotatable_bonds: 13
MolWt: 697.77 Num_heavy_atoms: 50
TPSA: 162.48 NumAromaticRings: 5

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O