Glycoside
...
GD079327

Name:
None

Formula:
C13H26O10N2S

Smiles:
CCOC(=O)N1CC[C@H](N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1

Aglycone:
CCOC(=O)N1CCC(N)C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.92
AlogP: -1.23 Num_rotatable_bonds: 6
MolWt: 402.42 Num_heavy_atoms: 26
TPSA: 181.41 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
AD25497
Formula: C7H14O2N2

Smiles:
CCOC(=O)N1CCC(N)C1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.86
AlogP: 0.18 Num_rotatable_bonds: 1
MolWt: 158.2 Num_heavy_atoms: 11
TPSA: 55.56 NumAromaticRings: 0

Sugarmoiety
SD00017

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