Glycoside

GD016586
Name:
NoneFormula:
C15H23O17N5P2Smiles:
[N-]=[N+]=Nc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
COP(=O)(O)OP(=O)(O)O.[N-]=[N+]=Nc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 3 |
HBD: | 9 | FractionCSP3: | 0.73 |
AlogP: | -3.85 | Num_rotatable_bonds: | 10 |
MolWt: | 607.32 | Num_heavy_atoms: | 39 |
TPSA: | 345.75 | NumAromaticRings: | 1 |
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 |
AD11325
Formula: C4H3O2N5
Smiles:
[N-]=[N+]=Nc1c[nH]c(=O)[nH]c1=OHBA: | 7 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 0.0 | Num_rotatable_bonds: | 1 |
MolWt: | 153.1 | Num_heavy_atoms: | 11 |
TPSA: | 114.48 | NumAromaticRings: | 1 |