Glycoside
...
GD080677

Name:
None

Formula:
C14H24O10N2S

Smiles:
Cc1noc(C(C)C)c1C(=O)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.Cc1noc(C(C)C)c1C(N)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.71
AlogP: -0.2 Num_rotatable_bonds: 6
MolWt: 412.42 Num_heavy_atoms: 27
TPSA: 194.97 NumAromaticRings: 1

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
AD27544
Formula: C8H12O2N2

Smiles:
Cc1noc(C(C)C)c1C(N)=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.5
AlogP: 1.21 Num_rotatable_bonds: 2
MolWt: 168.2 Num_heavy_atoms: 12
TPSA: 69.12 NumAromaticRings: 1

Sugarmoiety
SD00017

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