Glycoside
...
GD079965

Name:
None

Formula:
C14H22O11N2S

Smiles:
COC(=O)c1cnc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1OC

Aglycone:
COC(=O)c1cnc(N)cc1OC.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.57
AlogP: -0.75 Num_rotatable_bonds: 7
MolWt: 426.4 Num_heavy_atoms: 28
TPSA: 200.29 NumAromaticRings: 1

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
AD27720
Formula: C8H10O3N2

Smiles:
COC(=O)c1cnc(N)cc1OC
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 0.46 Num_rotatable_bonds: 2
MolWt: 182.18 Num_heavy_atoms: 13
TPSA: 74.44 NumAromaticRings: 1

Sugarmoiety
SD00017

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