Glycoside
...
GD002102

Name:
None

Formula:
C25H33O10N7PClS

Smiles:
COC(=O)C(C)(C)NP(=O)(OC[C@@H]1O[C@H](n2cnc3c(N(C)NS(C)(=O)=O)ncnc32)[C@@](C)(O)[C@H]1O)Oc1ccc(Cl)cc1

Aglycone:
CN(NS(C)(=O)=O)c1ncnc2c1N=C[N]2.COC(=O)C(C)(C)NP(=O)(OC)Oc1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 4 FractionCSP3: 0.5
AlogP: 1.13 Num_rotatable_bonds: 12
MolWt: 678.06 Num_heavy_atoms: 44
TPSA: 216.56 NumAromaticRings: 3

Unique Aglycone
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
AD02037
Formula: C13H17O5NPCl

Smiles:
COC(=O)C(C)(C)NP(=O)(OC)Oc1ccc(Cl)cc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.42
AlogP: 3.01 Num_rotatable_bonds: 6
MolWt: 321.7 Num_heavy_atoms: 20
TPSA: 73.86 NumAromaticRings: 1

Sugarmoiety
SD00027

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