Glycoside
...
GD094361

Name:
None

Formula:
C18H25O9N3S

Smiles:
Cc1cc(C)n(-c2ccccc2C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)n1

Aglycone:
COS(O)(O)O.Cc1cc(C)n(-c2ccccc2C(N)=O)n1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: 0.18 Num_rotatable_bonds: 6
MolWt: 459.48 Num_heavy_atoms: 31
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
AD40507
Formula: C12H13ON3

Smiles:
Cc1cc(C)n(-c2ccccc2C(N)=O)n1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 1.59 Num_rotatable_bonds: 2
MolWt: 215.26 Num_heavy_atoms: 16
TPSA: 60.91 NumAromaticRings: 2

Sugarmoiety
SD00017

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