Glycoside
...
GD080030

Name:
None

Formula:
C14H23O9N3S

Smiles:
C=C(OCC)c1ccc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nn1

Aglycone:
C=C(OCC)c1ccc(N)nn1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.57
AlogP: -0.14 Num_rotatable_bonds: 8
MolWt: 409.42 Num_heavy_atoms: 27
TPSA: 186.88 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
AD27742
Formula: C8H11ON3

Smiles:
C=C(OCC)c1ccc(N)nn1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 1.07 Num_rotatable_bonds: 3
MolWt: 165.2 Num_heavy_atoms: 12
TPSA: 61.03 NumAromaticRings: 1

Sugarmoiety
SD00017

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