Glycoside
...
GD097251

Name:
None

Formula:
C21H31O9N3S

Smiles:
CC(C)(C)c1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)n(Cc2ccccc2)n1

Aglycone:
CC(C)(C)c1cc(C(N)=O)n(Cc2ccccc2)n1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.52
AlogP: 0.92 Num_rotatable_bonds: 7
MolWt: 501.56 Num_heavy_atoms: 34
TPSA: 186.76 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
AD37772
Formula: C15H19ON3

Smiles:
CC(C)(C)c1cc(C(N)=O)n(Cc2ccccc2)n1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 2.33 Num_rotatable_bonds: 3
MolWt: 257.34 Num_heavy_atoms: 19
TPSA: 60.91 NumAromaticRings: 2

Sugarmoiety
SD00017

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