Glycoside
...
GD094771

Name:
None

Formula:
C15H22O10N3ClS

Smiles:
CON(C)C(=O)c1cc(Cl)nc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1

Aglycone:
CON(C)C(=O)c1cc(N)nc(Cl)c1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.57
AlogP: -0.26 Num_rotatable_bonds: 7
MolWt: 459.86 Num_heavy_atoms: 29
TPSA: 194.3 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
AD35002
Formula: C9H10O2N3Cl

Smiles:
CON(C)C(=O)c1cc(N)nc(Cl)c1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 0.95 Num_rotatable_bonds: 2
MolWt: 215.64 Num_heavy_atoms: 14
TPSA: 68.45 NumAromaticRings: 1

Sugarmoiety
SD00017

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