Glycoside
...
GD034932

Name:
None

Formula:
C43H42O7N7F3S

Smiles:
CC(=O)Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1

Aglycone:
CC(=O)Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 6 FractionCSP3: 0.3
AlogP: 6.44 Num_rotatable_bonds: 16
MolWt: 857.91 Num_heavy_atoms: 61
TPSA: 200.82 NumAromaticRings: 6

Unique Aglycone
AD22144
Formula: C38H33O3N7F3S

Smiles:
CC(=O)Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1
HBA: 10 RingCount: 6
HBD: 3 FractionCSP3: 0.21
AlogP: 8.39 Num_rotatable_bonds: 14
MolWt: 724.79 Num_heavy_atoms: 52
TPSA: 139.54 NumAromaticRings: 5

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O