Glycoside
...
GD086751

Name:
None

Formula:
C17H22O9N2S

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc(-n2cccc2)cc1

Aglycone:
COS(O)(O)O.NC(=O)c1ccc(-n2cccc2)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.35
AlogP: 0.17 Num_rotatable_bonds: 6
MolWt: 430.44 Num_heavy_atoms: 29
TPSA: 173.87 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
AD29844
Formula: C11H10ON2

Smiles:
NC(=O)c1ccc(-n2cccc2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 186.21 Num_heavy_atoms: 14
TPSA: 48.02 NumAromaticRings: 2

Sugarmoiety
SD00017

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