Glycoside
...
GD022087

Name:
None

Formula:
C33H32O9N4FClS

Smiles:
COc1cc(OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(-c3ccc(C(=O)O)cn3)c2)c(Cl)cc1NC(=O)CSc1ccccn1

Aglycone:
CNc1cc(F)cc(-c2ccc(C(=O)O)cn2)c1.COc1ccc(Cl)cc1NC(=O)CSc1ccccn1

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
AD15015
Formula: C13H11O2N2F

Smiles:
CNc1cc(F)cc(-c2ccc(C(=O)O)cn2)c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 2.63 Num_rotatable_bonds: 3
MolWt: 246.24 Num_heavy_atoms: 18
TPSA: 62.22 NumAromaticRings: 2
AD15016
Formula: C15H13O2N2ClS

Smiles:
COc1ccc(Cl)cc1NC(=O)CSc1ccccn1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 3.47 Num_rotatable_bonds: 5
MolWt: 308.79 Num_heavy_atoms: 20
TPSA: 51.22 NumAromaticRings: 2

Sugarmoiety
SD02446

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