Glycoside

GD120398
Name:
NoneFormula:
C16H23O17N5P2Smiles:
N=c1nc(O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OC4OC(C(=O)O)C(O)C(O)C4O)C(O)C3O)c2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)O.N=c1nc(O)c2c([nH]1)[N]C=N2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 4 |
HBD: | 11 | FractionCSP3: | 0.62 |
AlogP: | -4.29 | Num_rotatable_bonds: | 9 |
MolWt: | 619.33 | Num_heavy_atoms: | 40 |
TPSA: | 349.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OHBA: | 7 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
MolWt: | 192.0 | Num_heavy_atoms: | 10 |
TPSA: | 113.29 | 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 |