Glycoside
...
GD080719

Name:
None

Formula:
C16H23O9NS

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc2c(c1)CCC2

Aglycone:
COS(O)(O)O.NC(=O)c1ccc2c(c1)CCC2

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.56
AlogP: -0.13 Num_rotatable_bonds: 5
MolWt: 405.43 Num_heavy_atoms: 27
TPSA: 168.94 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
AD25622
Formula: C10H11ON

Smiles:
NC(=O)c1ccc2c(c1)CCC2
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.3
AlogP: 1.27 Num_rotatable_bonds: 1
MolWt: 161.2 Num_heavy_atoms: 12
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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