Glycoside
...
GD095623

Name:
None

Formula:
C14H21O12N3S

Smiles:
CCOC(=O)c1ccnc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1[N+](=O)[O-]

Aglycone:
CCOC(=O)c1ccnc(N)c1[N+](=O)[O-].COS(O)(O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 7 FractionCSP3: 0.57
AlogP: -0.46 Num_rotatable_bonds: 8
MolWt: 455.4 Num_heavy_atoms: 30
TPSA: 234.2 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
AD40788
Formula: C8H9O4N3

Smiles:
CCOC(=O)c1ccnc(N)c1[N+](=O)[O-]
HBA: 7 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 0.75 Num_rotatable_bonds: 3
MolWt: 211.18 Num_heavy_atoms: 15
TPSA: 108.35 NumAromaticRings: 1

Sugarmoiety
SD00017

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