Glycoside
...
GD155964

Name:
None

Formula:
C20H19O6N6SBr

Smiles:
CS(=O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1OC(=O)c1c[nH]c2cc(Br)c(O)cc12

Aglycone:
Nc1ncnc2c1N=C[N]2.O=C(O)c1c[nH]c2cc(Br)c(O)cc12

Sugarmoiety:
CS(=O)CC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 5 FractionCSP3: 0.3
AlogP: 1.22 Num_rotatable_bonds: 5
MolWt: 551.38 Num_heavy_atoms: 34
TPSA: 178.47 NumAromaticRings: 4

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD11659
Formula: C9H6O3NBr

Smiles:
O=C(O)c1c[nH]c2cc(Br)c(O)cc12
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 2.33 Num_rotatable_bonds: 1
MolWt: 256.06 Num_heavy_atoms: 14
TPSA: 73.32 NumAromaticRings: 2

Sugarmoiety
SD03897

CS(=O)CC1OC(O)C(O)C1O