Glycoside
...
GD095606

Name:
None

Formula:
C16H26O11N2S

Smiles:
COc1ccc(C[C@@H](C)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1

Aglycone:
COS(O)(O)O.COc1ccc(CC(C)N)c([N+](=O)[O-])c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.62
AlogP: 0.09 Num_rotatable_bonds: 9
MolWt: 454.45 Num_heavy_atoms: 30
TPSA: 204.24 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
AD40784
Formula: C10H14O3N2

Smiles:
COc1ccc(CC(C)N)c([N+](=O)[O-])c1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.4
AlogP: 1.49 Num_rotatable_bonds: 4
MolWt: 210.23 Num_heavy_atoms: 15
TPSA: 78.39 NumAromaticRings: 1

Sugarmoiety
SD00017

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