Glycoside

GD023949
Name:
NoneFormula:
C22H28O17N10P4Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])CP(=O)([O-])OP(=O)([O-])CP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])CP(=O)([O-])OP(=O)([O-])CP(=O)([O-])OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 27 | RingCount: | 6 |
HBD: | 8 | FractionCSP3: | 0.55 |
AlogP: | -4.75 | Num_rotatable_bonds: | 14 |
MolWt: | 828.42 | Num_heavy_atoms: | 53 |
TPSA: | 426.83 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2HBA: | 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 |
AD16052
Formula: C4H10O11P4
Smiles:
COP(=O)([O-])CP(=O)([O-])OP(=O)([O-])CP(=O)([O-])OCHBA: | 11 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 1.0 |
AlogP: | -1.58 | Num_rotatable_bonds: | 8 |
MolWt: | 358.01 | Num_heavy_atoms: | 19 |
TPSA: | 188.21 | NumAromaticRings: | 0 |