Glycoside
...
GD112550

Name:
None

Formula:
C26H27O7NS2

Smiles:
O=C(OC[C@@H](O)[C@H](O)[C@H](O)C(SCc1ccccc1)SCc1ccccc1)c1ccc([N+](=O)[O-])cc1

Aglycone:
O=Cc1ccc([N+](=O)[O-])cc1.c1ccc(CSCSCc2ccccc2)cc1

Sugarmoiety:
OOCC(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.27
AlogP: 4.03 Num_rotatable_bonds: 13
MolWt: 529.64 Num_heavy_atoms: 36
TPSA: 130.13 NumAromaticRings: 3

Unique Aglycone
AD17557
Formula: C15H16S2

Smiles:
c1ccc(CSCSCc2ccccc2)cc1
HBA: 0 RingCount: 2
HBD: 0 FractionCSP3: 0.2
AlogP: 4.81 Num_rotatable_bonds: 6
MolWt: 260.43 Num_heavy_atoms: 17
TPSA: 0.0 NumAromaticRings: 2
AD44775
Formula: C7H5O3N

Smiles:
O=Cc1ccc([N+](=O)[O-])cc1
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.41 Num_rotatable_bonds: 2
MolWt: 151.12 Num_heavy_atoms: 11
TPSA: 60.21 NumAromaticRings: 1

Sugarmoiety
SD01759

OOCC(O)C(O)C(O)O