Glycoside
GD086301
Name:
NoneFormula:
C14H23O8N6PSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[PH](O)(O)N3CCOCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CO[PH](O)(O)N1CCOCC1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.35 | Num_heavy_atoms: | 29 |
| TPSA: | 201.44 | 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 |
AD33531
Formula: C5H14O4NP
Smiles:
CO[PH](O)(O)N1CCOCC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 183.14 | Num_heavy_atoms: | 11 |
| TPSA: | 62.16 | NumAromaticRings: | 0 |
