Glycoside
GD025698
Name:
NoneFormula:
C13H16O7N3PSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](n2cc(-c3ccccc3)nn2)[C@H](O)[C@H]1OAglycone:
C1=C(c2ccccc2)N=N[N]1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 357.26 | Num_heavy_atoms: | 24 |
| TPSA: | 147.16 | NumAromaticRings: | 2 |
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 |
AD04561
Formula: C8H6N3
Smiles:
C1=C(c2ccccc2)N=N[N]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.16 | Num_heavy_atoms: | 11 |
| TPSA: | 38.82 | NumAromaticRings: | 1 |
