Glycoside
...
GD108121

Name:
None

Formula:
C27H36O9NS

Smiles:
CCSc1ccc2c(cc1=O)[C@@H]([NH2+][C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CCc1cc(OC)c(OC)c(OC)c1-2

Aglycone:
CCSc1ccc2c(cc1=O)C([NH3+])CCc1cc(OC)c(OC)c(OC)c1-2

Sugarmoiety:
OCC1OC([OH2+])C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 6 FractionCSP3: 0.52
AlogP: 0.2 Num_rotatable_bonds: 8
MolWt: 550.65 Num_heavy_atoms: 38
TPSA: 151.52 NumAromaticRings: 2

Unique Aglycone
AD44403
Formula: C21H26O4NS

Smiles:
CCSc1ccc2c(cc1=O)C([NH3+])CCc1cc(OC)c(OC)c(OC)c1-2
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.38
AlogP: 3.08 Num_rotatable_bonds: 5
MolWt: 388.51 Num_heavy_atoms: 27
TPSA: 72.4 NumAromaticRings: 2

Sugarmoiety
SD04204

OCC1OC([OH2+])C(O)C(O)C1O