Glycoside
...
GD101843

Name:
None

Formula:
C17H20O6N3SBr

Smiles:
O=C(Cn1cc(Br)cn1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
O=C(Cn1cc(Br)cn1)Nc1ccc(S)cc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.41
AlogP: 0.18 Num_rotatable_bonds: 6
MolWt: 474.33 Num_heavy_atoms: 28
TPSA: 137.07 NumAromaticRings: 2

Unique Aglycone
AD43120
Formula: C11H10ON3SBr

Smiles:
O=C(Cn1cc(Br)cn1)Nc1ccc(S)cc1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 2.57 Num_rotatable_bonds: 3
MolWt: 312.19 Num_heavy_atoms: 17
TPSA: 46.92 NumAromaticRings: 2

Sugarmoiety
SD00003

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