Glycoside
...
GD096075

Name:
None

Formula:
C15H22O8NSBr

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](N[C@@H]2Cc3ccc(Br)cc3C2)[C@H]1O

Aglycone:
COS(O)(O)O.NC1Cc2ccc(Br)cc2C1

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 7 FractionCSP3: 0.6
AlogP: 0.47 Num_rotatable_bonds: 5
MolWt: 456.31 Num_heavy_atoms: 26
TPSA: 151.87 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
AD32262
Formula: C9H10NBr

Smiles:
NC1Cc2ccc(Br)cc2C1
HBA: 1 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 1.88 Num_rotatable_bonds: 0
MolWt: 212.09 Num_heavy_atoms: 11
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00017

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