Glycoside
...
GD094648

Name:
None

Formula:
C19H25O9N3S

Smiles:
O=C(/C=C/c1ccc(Cn2ccnc2)cc1)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.NC(=O)C=Cc1ccc(Cn2ccnc2)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.37
AlogP: 0.02 Num_rotatable_bonds: 8
MolWt: 471.49 Num_heavy_atoms: 32
TPSA: 186.76 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD34912
Formula: C13H13ON3

Smiles:
NC(=O)C=Cc1ccc(Cn2ccnc2)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 1.43 Num_rotatable_bonds: 4
MolWt: 227.27 Num_heavy_atoms: 17
TPSA: 60.91 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O