Glycoside
...
GD089008

Name:
None

Formula:
C17H25O9N3S

Smiles:
N#CC1(c2ccc(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)nc2)CCOCC1

Aglycone:
COS(O)(O)O.N#CC1(c2ccc(N)nc2)CCOCC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.65
AlogP: 0.03 Num_rotatable_bonds: 6
MolWt: 447.47 Num_heavy_atoms: 30
TPSA: 197.78 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
AD38901
Formula: C11H13ON3

Smiles:
N#CC1(c2ccc(N)nc2)CCOCC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.45
AlogP: 1.24 Num_rotatable_bonds: 1
MolWt: 203.24 Num_heavy_atoms: 15
TPSA: 71.93 NumAromaticRings: 1

Sugarmoiety
SD00017

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