Glycoside
...
GD094667

Name:
None

Formula:
C18H28O12N2S

Smiles:
CC(C)(C)OC(=O)N1Cc2occ(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c2C1

Aglycone:
CC(C)(C)OC(=O)N1Cc2occ(C(N)=O)c2C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.67
AlogP: 0.22 Num_rotatable_bonds: 5
MolWt: 496.49 Num_heavy_atoms: 33
TPSA: 211.62 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
AD40537
Formula: C12H16O4N2

Smiles:
CC(C)(C)OC(=O)N1Cc2occ(C(N)=O)c2C1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 1.63 Num_rotatable_bonds: 1
MolWt: 252.27 Num_heavy_atoms: 18
TPSA: 85.77 NumAromaticRings: 1

Sugarmoiety
SD00017

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