Glycoside
GD005630
Name:
NoneFormula:
C25H39O15N9P2Smiles:
COCCOCCN[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:
COCCOCCNP(=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: | 24 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 18 |
| MolWt: | 767.58 | Num_heavy_atoms: | 51 |
| TPSA: | 331.2 | 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 |
AD01903
Formula: C14H25O8N4P
Smiles:
COCCOCCNP(=O)(O)OCC1CC(O)C(n2ccc(N)nc2=O)O1| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 408.35 | Num_heavy_atoms: | 27 |
| TPSA: | 167.39 | NumAromaticRings: | 1 |
