Glycoside
...
GD023268

Name:
None

Formula:
C25H37O16N10P3

Smiles:
CO[C@@H]1[C@H](O)[C@H](COP(=O)(O)CP(=O)(O)OP(=O)([O-])OC[C@@H]2O[C@H](n3c[n+](C)c4c(=O)[nH]c(N(C)C)nc43)[C@H](O)[C@H]2O)O[C@H]1n1cnc2c(N)ncnc21

Aglycone:
CN(C)c1nc2c(c(=O)[nH]1)[N+](C)=C[N]2.COP(=O)(O)CP(=O)(O)OP(=O)([O-])OC.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
COC1C(O)OC(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 6
HBD: 8 FractionCSP3: 0.6
AlogP: -3.22 Num_rotatable_bonds: 14
MolWt: 826.55 Num_heavy_atoms: 54
TPSA: 358.22 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
AD02043
Formula: C3H10O9P3

Smiles:
COP(=O)(O)CP(=O)(O)OP(=O)([O-])OC
HBA: 9 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: 0.09 Num_rotatable_bonds: 6
MolWt: 283.03 Num_heavy_atoms: 15
TPSA: 142.42 NumAromaticRings: 0
AD09625
Formula: C8H11ON5

Smiles:
CN(C)c1nc2c(c(=O)[nH]1)[N+](C)=C[N]2
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.38
AlogP: -0.61 Num_rotatable_bonds: 1
MolWt: 193.21 Num_heavy_atoms: 14
TPSA: 66.1 NumAromaticRings: 1

Sugarmoiety
SD00513

COC1C(O)OC(O)C1O.OC1OC(O)C(O)C1O