Glycoside
...
GD035857

Name:
None

Formula:
C33H32O9N4FClS

Smiles:
COc1cc(OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(-c3ccccn3)c2)c(Cl)cc1NC(=O)CSc1ccc(C(=O)O)cn1

Aglycone:
CNc1cc(F)cc(-c2ccccn2)c1.COc1ccc(Cl)cc1NC(=O)CSc1ccc(C(=O)O)cn1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 7 FractionCSP3: 0.25
AlogP: 3.31 Num_rotatable_bonds: 16
MolWt: 703.15 Num_heavy_atoms: 48
TPSA: 203.59 NumAromaticRings: 4

Unique Aglycone
AD15123
Formula: C16H13O4N2ClS

Smiles:
COc1ccc(Cl)cc1NC(=O)CSc1ccc(C(=O)O)cn1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.13
AlogP: 3.17 Num_rotatable_bonds: 6
MolWt: 352.8 Num_heavy_atoms: 23
TPSA: 88.52 NumAromaticRings: 2
AD22660
Formula: C12H11N2F

Smiles:
CNc1cc(F)cc(-c2ccccn2)c1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.08
AlogP: 2.93 Num_rotatable_bonds: 2
MolWt: 202.23 Num_heavy_atoms: 15
TPSA: 24.92 NumAromaticRings: 2

Sugarmoiety
SD02446

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