Glycoside

GD026633
Name:
NoneFormula:
C17H27O14N6P3ISmiles:
O=C(CI)NCCCCCNc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)([O-])O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)([O-])O.O=C(CI)NCCCCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 20 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.65 |
AlogP: | -0.71 | Num_rotatable_bonds: | 16 |
MolWt: | 759.26 | Num_heavy_atoms: | 41 |
TPSA: | 297.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD09002
Formula: C12H16ON6I
Smiles:
O=C(CI)NCCCCCNc1ncnc2c1N=C[N]2HBA: | 7 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.5 |
AlogP: | 1.52 | Num_rotatable_bonds: | 8 |
MolWt: | 387.21 | Num_heavy_atoms: | 20 |
TPSA: | 93.37 | NumAromaticRings: | 1 |
AD09054
Formula: CH6O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)([O-])OHBA: | 10 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
MolWt: | 270.97 | Num_heavy_atoms: | 14 |
TPSA: | 162.65 | NumAromaticRings: | 0 |