Glycoside
...
GD094253

Name:
None

Formula:
C19H34O11N2S

Smiles:
CC(C)(C)OC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C2(C)C

Aglycone:
CC(C)(C)OC(=O)N1CC2C(C1C(N)=O)C2(C)C.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.89
AlogP: -0.04 Num_rotatable_bonds: 5
MolWt: 498.55 Num_heavy_atoms: 33
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
AD36901
Formula: C13H22O3N2

Smiles:
CC(C)(C)OC(=O)N1CC2C(C1C(N)=O)C2(C)C
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.85
AlogP: 1.36 Num_rotatable_bonds: 1
MolWt: 254.33 Num_heavy_atoms: 18
TPSA: 72.63 NumAromaticRings: 0

Sugarmoiety
SD00017

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