Glycoside
...
GD094748

Name:
None

Formula:
C17H23O11N3S

Smiles:
CCOC(=O)c1cnn2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc12

Aglycone:
CCOC(=O)c1cnn2ccc(C(N)=O)cc12.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.47
AlogP: -0.8 Num_rotatable_bonds: 7
MolWt: 477.45 Num_heavy_atoms: 32
TPSA: 212.54 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
AD34959
Formula: C11H11O3N3

Smiles:
CCOC(=O)c1cnn2ccc(C(N)=O)cc12
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 0.61 Num_rotatable_bonds: 3
MolWt: 233.23 Num_heavy_atoms: 17
TPSA: 86.69 NumAromaticRings: 2

Sugarmoiety
SD00017

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