Glycoside
...
GD094055

Name:
None

Formula:
C18H32O12N2S

Smiles:
CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)O2)C1

Aglycone:
CC(C)(C)OC(=O)N1CC2(CCC(C(N)=O)O2)C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.89
AlogP: -0.77 Num_rotatable_bonds: 5
MolWt: 500.52 Num_heavy_atoms: 33
TPSA: 207.71 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
AD36841
Formula: C12H20O4N2

Smiles:
CC(C)(C)OC(=O)N1CC2(CCC(C(N)=O)O2)C1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.83
AlogP: 0.64 Num_rotatable_bonds: 1
MolWt: 256.3 Num_heavy_atoms: 18
TPSA: 81.86 NumAromaticRings: 0

Sugarmoiety
SD00017

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