Glycoside
GD015029
Name:
NoneFormula:
C16H24O9N5PSmiles:
CCOP(=O)(CC(=O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@H]1O)OCCAglycone:
CCOP(=O)(CC(=O)OC)OCC.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 461.37 | Num_heavy_atoms: | 31 |
| TPSA: | 201.11 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD07583
Formula: C7H15O5P
Smiles:
CCOP(=O)(CC(=O)OC)OCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 210.17 | Num_heavy_atoms: | 13 |
| TPSA: | 61.83 | NumAromaticRings: | 0 |
