Glycoside
...
GD017289

Name:
None

Formula:
C40H45O22N20P3Br4

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[C@@H]4[C@H](O)[C@H](CO)O[C@H]4n4c(Br)nc5c(N)ncnc54)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.Nc1ncnc2c1N=C(Br)[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 42 RingCount: 12
HBD: 17 FractionCSP3: 0.5
AlogP: -1.38 Num_rotatable_bonds: 20
MolWt: 1570.46 Num_heavy_atoms: 89
TPSA: 604.06 NumAromaticRings: 8

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
SD02089

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O