Glycoside
...
GD087453

Name:
None

Formula:
C16H19O11NS

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1cc2ccccc2oc1=O

Aglycone:
COS(O)(O)O.NC(=O)c1cc2ccccc2oc1=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.38
AlogP: -0.51 Num_rotatable_bonds: 5
MolWt: 433.39 Num_heavy_atoms: 29
TPSA: 199.15 NumAromaticRings: 2

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
AD31541
Formula: C10H7O3N

Smiles:
NC(=O)c1cc2ccccc2oc1=O
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.89 Num_rotatable_bonds: 1
MolWt: 189.17 Num_heavy_atoms: 14
TPSA: 73.3 NumAromaticRings: 2

Sugarmoiety
SD00017

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