Glycoside
...
GD079936

Name:
None

Formula:
C14H19O9N3S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2ccc(-c3ccco3)nn2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ccc(-c2ccco2)nn1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.43
AlogP: 0.11 Num_rotatable_bonds: 6
MolWt: 405.39 Num_heavy_atoms: 27
TPSA: 190.79 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
AD26433
Formula: C8H7ON3

Smiles:
Nc1ccc(-c2ccco2)nn1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.32 Num_rotatable_bonds: 1
MolWt: 161.16 Num_heavy_atoms: 12
TPSA: 64.94 NumAromaticRings: 2

Sugarmoiety
SD00017

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