Glycoside
...
GD079323

Name:
None

Formula:
C15H25O9N3S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2cccc(N3CCOCC3)n2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1cccc(N2CCOCC2)n1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.67
AlogP: -0.71 Num_rotatable_bonds: 6
MolWt: 423.44 Num_heavy_atoms: 28
TPSA: 177.23 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
AD27275
Formula: C9H13ON3

Smiles:
Nc1cccc(N2CCOCC2)n1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.44
AlogP: 0.5 Num_rotatable_bonds: 1
MolWt: 179.22 Num_heavy_atoms: 13
TPSA: 51.38 NumAromaticRings: 1

Sugarmoiety
SD00017

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