Glycoside
GD028657
Name:
NoneFormula:
C17H22O17N10P4Smiles:
Nc1nc2ncc(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)nc2c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCc1cnc2nc(N)[nH]c(=O)c2n1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.35 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 762.31 | Num_heavy_atoms: | 48 |
| TPSA: | 412.21 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD18700
Formula: C8H13O14N5P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCc1cnc2nc(N)[nH]c(=O)c2n1| HBA: | 19 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 10 |
| MolWt: | 527.11 | Num_heavy_atoms: | 31 |
| TPSA: | 292.9 | NumAromaticRings: | 2 |
