Glycoside
...
GD018661

Name:
None

Formula:
C27H45O11N6PS3

Smiles:
CN(NS(C)(=O)=O)c1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@H](O)[C@]1(C)O

Aglycone:
CN(NS(C)(=O)=O)c1ncnc2c1N=C[N]2.COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 3 FractionCSP3: 0.74
AlogP: 2.51 Num_rotatable_bonds: 15
MolWt: 756.86 Num_heavy_atoms: 48
TPSA: 221.6 NumAromaticRings: 2

Unique Aglycone
AD01206
Formula: C15H29O6PS2

Smiles:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C
HBA: 6 RingCount: 0
HBD: 0 FractionCSP3: 0.87
AlogP: 4.39 Num_rotatable_bonds: 9
MolWt: 400.5 Num_heavy_atoms: 24
TPSA: 78.9 NumAromaticRings: 0
AD02036
Formula: C7H9O2N6S

Smiles:
CN(NS(C)(=O)=O)c1ncnc2c1N=C[N]2
HBA: 8 RingCount: 2
HBD: 1 FractionCSP3: 0.29
AlogP: -0.71 Num_rotatable_bonds: 3
MolWt: 241.26 Num_heavy_atoms: 16
TPSA: 101.65 NumAromaticRings: 1

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O