Glycoside
...
GD096741

Name:
None

Formula:
C17H24O8N4Cl2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2c(Cl)nnc(Cl)c2N2CCCCC2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1c(Cl)nnc(Cl)c1N1CCCCC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.73
AlogP: 1.15 Num_rotatable_bonds: 6
MolWt: 491.35 Num_heavy_atoms: 30
TPSA: 180.89 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
AD41133
Formula: C11H12N4Cl2

Smiles:
Nc1c(Cl)nnc(Cl)c1N1CCCCC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.56
AlogP: 2.36 Num_rotatable_bonds: 1
MolWt: 247.13 Num_heavy_atoms: 15
TPSA: 55.04 NumAromaticRings: 1

Sugarmoiety
SD00017

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