Glycoside
...
GD093801

Name:
None

Formula:
C17H32O10N2S2

Smiles:
CC(C)(C)OC(=O)N1CC2(C[C@@H](N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CS2)C1

Aglycone:
CC(C)(C)OC(=O)N1CC2(CC(N)CS2)C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.94
AlogP: 0.03 Num_rotatable_bonds: 5
MolWt: 488.58 Num_heavy_atoms: 31
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
AD36315
Formula: C11H20O2N2S

Smiles:
CC(C)(C)OC(=O)N1CC2(CC(N)CS2)C1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.91
AlogP: 1.44 Num_rotatable_bonds: 0
MolWt: 244.36 Num_heavy_atoms: 16
TPSA: 55.56 NumAromaticRings: 0

Sugarmoiety
SD00017

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