Glycoside
...
GD017257

Name:
None

Formula:
C30H35O19N15P3Br3

Smiles:
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@H](COP(=O)(O)O)O[C@H]3n3c(Br)nc4c(N)ncnc43)O[C@H]2n2c(Br)nc3c(N)ncnc32)[C@H](O)[C@H]1O

Aglycone:
COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.Nc1ncnc2c1N=C(Br)[N]2.Nc1ncnc2c1N=C(Br)[N]2.Nc1ncnc2c1N=C(Br)[N]2

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

Other Identifiers

Properties
HBA: 34 RingCount: 9
HBD: 14 FractionCSP3: 0.5
AlogP: -1.21 Num_rotatable_bonds: 16
MolWt: 1242.33 Num_heavy_atoms: 70
TPSA: 495.75 NumAromaticRings: 6

Unique Aglycone
AD00079
Formula: CH5O4P

Smiles:
COP(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.27 Num_rotatable_bonds: 1
MolWt: 112.02 Num_heavy_atoms: 6
TPSA: 66.76 NumAromaticRings: 0
AD00486
Formula: C5H3N5Br

Smiles:
Nc1ncnc2c1N=C(Br)[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.69 Num_rotatable_bonds: 0
MolWt: 213.02 Num_heavy_atoms: 11
TPSA: 78.26 NumAromaticRings: 1

Sugarmoiety
SD00353

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