Glycoside
...
GD093944

Name:
None

Formula:
C14H24O12N2S2

Smiles:
CC1(C)[C@H](C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)N2C(=O)C[C@H]2S1(=O)=O

Aglycone:
CC1(C)C(C(N)=O)N2C(=O)CC2S1(=O)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.86
AlogP: -2.8 Num_rotatable_bonds: 5
MolWt: 476.48 Num_heavy_atoms: 30
TPSA: 223.39 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
AD34083
Formula: C8H12O4N2S

Smiles:
CC1(C)C(C(N)=O)N2C(=O)CC2S1(=O)=O
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.75
AlogP: -1.39 Num_rotatable_bonds: 1
MolWt: 232.26 Num_heavy_atoms: 15
TPSA: 97.54 NumAromaticRings: 0

Sugarmoiety
SD00017

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