Glycoside
...
GD094864

Name:
None

Formula:
C15H21O10N3S2

Smiles:
O=S(=O)(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc(-n2cccn2)cc1

Aglycone:
COS(O)(O)O.NS(=O)(=O)c1ccc(-n2cccn2)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.4
AlogP: -0.89 Num_rotatable_bonds: 7
MolWt: 467.48 Num_heavy_atoms: 30
TPSA: 203.83 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
AD34255
Formula: C9H9O2N3S

Smiles:
NS(=O)(=O)c1ccc(-n2cccn2)cc1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.52 Num_rotatable_bonds: 2
MolWt: 223.26 Num_heavy_atoms: 15
TPSA: 77.98 NumAromaticRings: 2

Sugarmoiety
SD00017

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