Glycoside

GD138543
Name:
GppppgFormula:
C20H28O21N10P4Smiles:
N=c1nc(O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(O)nc(=N)[nH]c65)C(O)C4O)C(O)C3O)c2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC.N=c1nc(O)c2c([nH]1)[N]C=N2.N=c1nc(O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 31 | RingCount: | 6 |
HBD: | 14 | FractionCSP3: | 0.5 |
AlogP: | -3.37 | Num_rotatable_bonds: | 14 |
MolWt: | 868.39 | Num_heavy_atoms: | 55 |
TPSA: | 475.89 | NumAromaticRings: | 4 |
Unique Aglycone
AD02144
Formula: C2H10O13P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCHBA: | 13 | RingCount: | 0 |
HBD: | 4 | FractionCSP3: | 1.0 |
AlogP: | 0.73 | Num_rotatable_bonds: | 8 |
MolWt: | 365.99 | Num_heavy_atoms: | 19 |
TPSA: | 195.35 | NumAromaticRings: | 0 |
AD44903
Formula: C5H4ON5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=N2HBA: | 6 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
MolWt: | 150.12 | Num_heavy_atoms: | 11 |
TPSA: | 99.22 | NumAromaticRings: | 1 |