Glycoside
...
GD086972

Name:
None

Formula:
C16H29O11NS

Smiles:
O=C(CCC(=O)OC1CCCCC1)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.NC(=O)CCC(=O)OC1CCCCC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.88
AlogP: -0.28 Num_rotatable_bonds: 8
MolWt: 443.47 Num_heavy_atoms: 29
TPSA: 195.24 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
AD30880
Formula: C10H17O3N

Smiles:
NC(=O)CCC(=O)OC1CCCCC1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.8
AlogP: 1.13 Num_rotatable_bonds: 4
MolWt: 199.25 Num_heavy_atoms: 14
TPSA: 69.39 NumAromaticRings: 0

Sugarmoiety
SD00017

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