Glycoside
...
GD087008

Name:
None

Formula:
C15H28O10N2S

Smiles:
CC(=O)N1CCCC[C@@H]1CC(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CC(=O)N1CCCCC1CC(N)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.87
AlogP: -1.14 Num_rotatable_bonds: 6
MolWt: 428.46 Num_heavy_atoms: 28
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
AD27663
Formula: C9H16O2N2

Smiles:
CC(=O)N1CCCCC1CC(N)=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.78
AlogP: 0.26 Num_rotatable_bonds: 2
MolWt: 184.24 Num_heavy_atoms: 13
TPSA: 63.4 NumAromaticRings: 0

Sugarmoiety
SD00017

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