Glycoside
...
GD080321

Name:
None

Formula:
C14H21O9N3S

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)C1(c2ncccn2)CC1

Aglycone:
COS(O)(O)O.NC(=O)C1(c2ncccn2)CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.64
AlogP: -1.41 Num_rotatable_bonds: 6
MolWt: 407.4 Num_heavy_atoms: 27
TPSA: 194.72 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
AD28914
Formula: C8H9ON3

Smiles:
NC(=O)C1(c2ncccn2)CC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.38
AlogP: -0.01 Num_rotatable_bonds: 2
MolWt: 163.18 Num_heavy_atoms: 12
TPSA: 68.87 NumAromaticRings: 1

Sugarmoiety
SD00017

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