Glycoside
...
GD035083

Name:
None

Formula:
C36H36O11N4FClS

Smiles:
COC(=O)c1ccc(SCC(=O)Nc2cc(Cl)c(OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CNc3cc(F)cc(-c4ccc(C(=O)OC)cn4)c3)cc2OC)nc1

Aglycone:
CNc1cc(F)cc(-c2ccc(C(=O)OC)cn2)c1.COC(=O)c1ccc(SCC(=O)Nc2cc(Cl)ccc2OC)nc1

Sugarmoiety:
OOCC(O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 6 FractionCSP3: 0.29
AlogP: 3.18 Num_rotatable_bonds: 17
MolWt: 775.21 Num_heavy_atoms: 53
TPSA: 218.89 NumAromaticRings: 4

Unique Aglycone
AD22217
Formula: C14H13O2N2F

Smiles:
CNc1cc(F)cc(-c2ccc(C(=O)OC)cn2)c1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 2.72 Num_rotatable_bonds: 3
MolWt: 260.27 Num_heavy_atoms: 19
TPSA: 51.22 NumAromaticRings: 2
AD22218
Formula: C17H15O4N2ClS

Smiles:
COC(=O)c1ccc(SCC(=O)Nc2cc(Cl)ccc2OC)nc1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.19
AlogP: 3.26 Num_rotatable_bonds: 6
MolWt: 366.83 Num_heavy_atoms: 24
TPSA: 77.52 NumAromaticRings: 2

Sugarmoiety
SD02446

OOCC(O)C(O)C(O)C(O)O