Glycoside
...
GD078118

Name:
None

Formula:
C17H23O5N3S

Smiles:
CCn1cc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)cn1

Aglycone:
CCn1cc(Nc2ccc(S)cc2)cn1

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.47
AlogP: 0.54 Num_rotatable_bonds: 6
MolWt: 381.45 Num_heavy_atoms: 26
TPSA: 120.0 NumAromaticRings: 2

Unique Aglycone
AD35816
Formula: C11H13N3S

Smiles:
CCn1cc(Nc2ccc(S)cc2)cn1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.18
AlogP: 2.94 Num_rotatable_bonds: 3
MolWt: 219.31 Num_heavy_atoms: 15
TPSA: 29.85 NumAromaticRings: 2

Sugarmoiety
SD00003

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