Glycoside
GD021499
Name:
NoneFormula:
C11H18O14N5P3Smiles:
Cn1c(N)nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c1=OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Cn1c(N)nc2c(c1=O)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 537.21 | Num_heavy_atoms: | 33 |
| TPSA: | 288.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD07447
Formula: C6H6ON5
Smiles:
Cn1c(N)nc2c(c1=O)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 87.37 | NumAromaticRings: | 1 |
