Glycoside
...
GD096899

Name:
None

Formula:
C20H26O9N2S

Smiles:
Cc1cc(-c2ccc(CC(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc2)ccn1

Aglycone:
COS(O)(O)O.Cc1cc(-c2ccc(CC(N)=O)cc2)ccn1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.4
AlogP: 0.68 Num_rotatable_bonds: 7
MolWt: 470.5 Num_heavy_atoms: 32
TPSA: 181.83 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
AD41190
Formula: C14H14ON2

Smiles:
Cc1cc(-c2ccc(CC(N)=O)cc2)ccn1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.14
AlogP: 2.08 Num_rotatable_bonds: 3
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 55.98 NumAromaticRings: 2

Sugarmoiety
SD00017

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