Glycoside
...
GD077597

Name:
None

Formula:
C18H28O5N2S

Smiles:
Cc1ccc(C2=NN[C@@H]([C@@](C)(O)[C@](C)(O)[C@](C)(O)[C@](C)(O)CO)S2)cc1

Aglycone:
Cc1ccc(C2=NNCS2)cc1

Sugarmoiety:
CC(O)(O)C(C)(O)C(C)(O)C(C)(O)CO

Other Identifiers

Properties
HBA: 7 RingCount: 2
HBD: 6 FractionCSP3: 0.61
AlogP: 0.32 Num_rotatable_bonds: 6
MolWt: 384.5 Num_heavy_atoms: 26
TPSA: 125.54 NumAromaticRings: 1

Unique Aglycone
AD02203
Formula: C9H10N2S

Smiles:
Cc1ccc(C2=NNCS2)cc1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.22
AlogP: 1.95 Num_rotatable_bonds: 1
MolWt: 178.26 Num_heavy_atoms: 12
TPSA: 24.39 NumAromaticRings: 1

Sugarmoiety
SD04027

CC(O)(O)C(C)(O)C(C)(O)C(C)(O)CO