Glycoside
...
GD036016

Name:
None

Formula:
C29H36O12N4F2S2

Smiles:
CCCCNC(=O)c1cn([C@@H]2[C@H](O)[C@H](SS[C@@H]3O[C@H](CO)[C@H](O)[C@H](OCc4cc5c(F)c(F)ccc5oc4=O)[C@H]3O)O[C@H](CO)[C@H]2O)nn1

Aglycone:
CCCCNC(=O)c1cn(C2C(O)C(CO)OC(SS)C2O)nn1.O=c1oc2ccc(F)c(F)c2cc1CO

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 7 FractionCSP3: 0.59
AlogP: -0.42 Num_rotatable_bonds: 13
MolWt: 734.75 Num_heavy_atoms: 49
TPSA: 239.09 NumAromaticRings: 3

Unique Aglycone
AD07016
Formula: C10H6O3F2

Smiles:
O=c1oc2ccc(F)c(F)c2cc1CO
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.1
AlogP: 1.56 Num_rotatable_bonds: 1
MolWt: 212.15 Num_heavy_atoms: 15
TPSA: 50.44 NumAromaticRings: 2
AD22754
Formula: C13H22O5N4S2

Smiles:
CCCCNC(=O)c1cn(C2C(O)C(CO)OC(SS)C2O)nn1
HBA: 9 RingCount: 2
HBD: 4 FractionCSP3: 0.77
AlogP: -0.63 Num_rotatable_bonds: 7
MolWt: 378.48 Num_heavy_atoms: 24
TPSA: 129.73 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O