Glycoside
...
GD024554

Name:
None

Formula:
C30H35O10N7PClS

Smiles:
CC(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)C(=O)OCc1ccccc1

Aglycone:
CN(NS(C)(=O)=O)c1ncnc2c1N=C[N]2.COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 4 FractionCSP3: 0.38
AlogP: 2.31 Num_rotatable_bonds: 14
MolWt: 740.13 Num_heavy_atoms: 49
TPSA: 216.56 NumAromaticRings: 4

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
AD12299
Formula: C18H19O5NPCl

Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1ccc(Cl)cc1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.24
AlogP: 4.19 Num_rotatable_bonds: 8
MolWt: 383.77 Num_heavy_atoms: 25
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00027

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