Glycoside
GD005189
Name:
NoneFormula:
C14H25O11N7P2Smiles:
NCCOCCOc1nc(N)nc2c1ncn2C1O[C@H](COP(=O)(O)NP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)NP(=O)(O)O.NCCOCCOc1nc(N)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.64 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 12 |
| MolWt: | 529.34 | Num_heavy_atoms: | 34 |
| TPSA: | 279.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD04433
Formula: CH7O6NP2
Smiles:
COP(=O)(O)NP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 191.02 | Num_heavy_atoms: | 10 |
| TPSA: | 116.09 | NumAromaticRings: | 0 |
AD04434
Formula: C9H13O2N6
Smiles:
NCCOCCOc1nc(N)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 237.24 | Num_heavy_atoms: | 17 |
| TPSA: | 122.74 | NumAromaticRings: | 1 |
