Glycoside
GD007313
Name:
NoneFormula:
C23H35O14N9P2Smiles:
COCCN[P@@](=O)(OC[C@@H]1C[C@H](O)[C@H](n2ccc(N)nc2=O)O1)O[C@@H]1[C@H](COP(=O)(O)O)O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H]1OCAglycone:
COCCNP(=O)(O)OCC1CC(O)C(n2ccc(N)nc2=O)O1.COP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 15 |
| MolWt: | 723.53 | Num_heavy_atoms: | 48 |
| TPSA: | 321.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 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 |
AD05965
Formula: C12H21O7N4P
Smiles:
COCCNP(=O)(O)OCC1CC(O)C(n2ccc(N)nc2=O)O1| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 364.3 | Num_heavy_atoms: | 24 |
| TPSA: | 158.16 | NumAromaticRings: | 1 |
