Glycoside
...
GD094791

Name:
None

Formula:
C17H27O10N3S

Smiles:
CCOC(=O)[C@H]1CCc2nnc(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc2C1

Aglycone:
CCOC(=O)C1CCc2nnc(N)cc2C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.71
AlogP: -0.48 Num_rotatable_bonds: 7
MolWt: 465.48 Num_heavy_atoms: 31
TPSA: 203.95 NumAromaticRings: 1

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
AD40545
Formula: C11H15O2N3

Smiles:
CCOC(=O)C1CCc2nnc(N)cc2C1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.55
AlogP: 0.73 Num_rotatable_bonds: 2
MolWt: 221.26 Num_heavy_atoms: 16
TPSA: 78.1 NumAromaticRings: 1

Sugarmoiety
SD00017

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