Glycoside
...
GD094768

Name:
None

Formula:
C16H23O9N4ClS

Smiles:
CC(C)N1Cc2c(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)nc(Cl)nc2C1=O

Aglycone:
CC(C)N1Cc2c(N)nc(Cl)nc2C1=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.67
AlogP: -0.13 Num_rotatable_bonds: 6
MolWt: 470.89 Num_heavy_atoms: 30
TPSA: 197.96 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
AD34999
Formula: C10H11ON4Cl

Smiles:
CC(C)N1Cc2c(N)nc(Cl)nc2C1=O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.44
AlogP: 1.08 Num_rotatable_bonds: 1
MolWt: 226.67 Num_heavy_atoms: 15
TPSA: 72.11 NumAromaticRings: 1

Sugarmoiety
SD00017

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