Glycoside
...
GD075648

Name:
None

Formula:
C14H26O8N3S

Smiles:
C[NH+](C)Cc1ccnc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1

Aglycone:
COS(O)(O)O.C[NH+](C)Cc1ccnc(N)c1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 8 FractionCSP3: 0.64
AlogP: -1.9 Num_rotatable_bonds: 7
MolWt: 396.44 Num_heavy_atoms: 26
TPSA: 169.2 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
AD26618
Formula: C8H14N3

Smiles:
C[NH+](C)Cc1ccnc(N)c1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.38
AlogP: -0.69 Num_rotatable_bonds: 2
MolWt: 152.22 Num_heavy_atoms: 11
TPSA: 43.35 NumAromaticRings: 1

Sugarmoiety
SD00017

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