Glycoside
...
GD078069

Name:
None

Formula:
C18H25O5N3S

Smiles:
CCCn1cc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)cn1

Aglycone:
CCCn1cc(Nc2ccc(S)cc2)cn1

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.5
AlogP: 0.93 Num_rotatable_bonds: 7
MolWt: 395.48 Num_heavy_atoms: 27
TPSA: 120.0 NumAromaticRings: 2

Unique Aglycone
AD35787
Formula: C12H15N3S

Smiles:
CCCn1cc(Nc2ccc(S)cc2)cn1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 3.33 Num_rotatable_bonds: 4
MolWt: 233.34 Num_heavy_atoms: 16
TPSA: 29.85 NumAromaticRings: 2

Sugarmoiety
SD00003

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