Glycoside
...
GD024827

Name:
None

Formula:
C34H32O11N4FClS

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)CSc1ccc(C(=O)O)cn1

Aglycone:
CNc1cc(F)cc(-c2ccc(C(=O)O)cn2)c1.COc1ccc(Cl)cc1NC(=O)CSc1ccc(C(=O)O)cn1

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 8 FractionCSP3: 0.24
AlogP: 3.01 Num_rotatable_bonds: 17
MolWt: 747.15 Num_heavy_atoms: 51
TPSA: 240.89 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
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

Sugarmoiety
SD02446

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