Glycoside
...
GD036177

Name:
None

Formula:
C27H35O11NS

Smiles:
O=C(CCCCCS)Nc1cc(CCC(=O)c2c(O)cc(O)cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O

Aglycone:
O=C(CCCCCS)Nc1cc(CCC(=O)c2c(O)cc(O)cc2O)ccc1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.48
AlogP: 1.23 Num_rotatable_bonds: 13
MolWt: 581.64 Num_heavy_atoms: 40
TPSA: 206.24 NumAromaticRings: 2

Unique Aglycone
AD22842
Formula: C21H25O6NS

Smiles:
O=C(CCCCCS)Nc1cc(CCC(=O)c2c(O)cc(O)cc2O)ccc1O
HBA: 7 RingCount: 2
HBD: 5 FractionCSP3: 0.33
AlogP: 3.75 Num_rotatable_bonds: 10
MolWt: 419.5 Num_heavy_atoms: 29
TPSA: 127.09 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O