Glycoside

GD105671
Name:
NoneFormula:
C20H36O21N10P4Smiles:
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OC.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 31 | RingCount: | 6 |
HBD: | 18 | FractionCSP3: | 0.5 |
AlogP: | -6.68 | Num_rotatable_bonds: | 14 |
MolWt: | 876.45 | Num_heavy_atoms: | 55 |
TPSA: | 486.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2HBA: | 6 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
MolWt: | 150.12 | Num_heavy_atoms: | 11 |
TPSA: | 98.23 | NumAromaticRings: | 1 |
AD44059
Formula: C2H18O13P4
Smiles:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O[PH](O)(O)OCHBA: | 13 | RingCount: | 0 |
HBD: | 8 | FractionCSP3: | 1.0 |
AlogP: | -2.09 | Num_rotatable_bonds: | 8 |
MolWt: | 374.05 | Num_heavy_atoms: | 19 |
TPSA: | 207.99 | NumAromaticRings: | 0 |