Glycoside
...
GD072079

Name:
None

Formula:
C13H24O10N2S

Smiles:
CN1CC[C@@H](C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1=O

Aglycone:
CN1CCC(C(N)=O)CC1=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.85
AlogP: -2.07 Num_rotatable_bonds: 5
MolWt: 400.41 Num_heavy_atoms: 26
TPSA: 189.25 NumAromaticRings: 0

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
AD26273
Formula: C7H12O2N2

Smiles:
CN1CCC(C(N)=O)CC1=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.71
AlogP: -0.66 Num_rotatable_bonds: 1
MolWt: 156.18 Num_heavy_atoms: 11
TPSA: 63.4 NumAromaticRings: 0

Sugarmoiety
SD00017

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