Glycoside
...
GD093797

Name:
None

Formula:
C16H30O11N2S

Smiles:
CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1=O

Aglycone:
CC(C)(C)OC(=O)N1CCC(N)CC1=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.88
AlogP: -0.54 Num_rotatable_bonds: 5
MolWt: 458.49 Num_heavy_atoms: 30
TPSA: 198.48 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
AD33601
Formula: C10H18O3N2

Smiles:
CC(C)(C)OC(=O)N1CCC(N)CC1=O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.8
AlogP: 0.87 Num_rotatable_bonds: 0
MolWt: 214.26 Num_heavy_atoms: 15
TPSA: 72.63 NumAromaticRings: 0

Sugarmoiety
SD00017

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