Glycoside
...
GD120925

Name:
Mycothiol

Formula:
C27H40O14N4S

Smiles:
CC(O)=NC(CSCc1c(C)c(=O)n2c(=O)c(C)c(C)n12)C(O)=NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O

Aglycone:
CC(O)=NC(CSCc1c(C)c(=O)n2c(=O)c(C)c(C)n12)C(=N)O.OC1C(O)C(O)C(O)C(O)C1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 10 FractionCSP3: 0.7
AlogP: -4.33 Num_rotatable_bonds: 10
MolWt: 676.7 Num_heavy_atoms: 46
TPSA: 288.44 NumAromaticRings: 2

Unique Aglycone
AD00421
Formula: C6H12O6

Smiles:
OC1C(O)C(O)C(O)C(O)C1O
HBA: 6 RingCount: 1
HBD: 6 FractionCSP3: 1.0
AlogP: -3.83 Num_rotatable_bonds: 0
MolWt: 180.16 Num_heavy_atoms: 12
TPSA: 121.38 NumAromaticRings: 0
AD48625
Formula: C15H20O4N4S

Smiles:
CC(O)=NC(CSCc1c(C)c(=O)n2c(=O)c(C)c(C)n12)C(=N)O
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.47
AlogP: 1.24 Num_rotatable_bonds: 6
MolWt: 352.42 Num_heavy_atoms: 24
TPSA: 119.63 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O