Glycoside
GD025988
Name:
NoneFormula:
C22H30O9N7PSmiles:
C[C@H](NP(=O)(OC[C@]1(N=[N+]=[N-])O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)Oc1ccccc1)C(=O)OC(C)(C)CAglycone:
COP(=O)(NC(C)C(=O)OC(C)(C)C)Oc1ccccc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
[N-]=[N+]=NC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 567.5 | Num_heavy_atoms: | 39 |
| TPSA: | 233.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD12125
Formula: C14H22O5NP
Smiles:
COP(=O)(NC(C)C(=O)OC(C)(C)C)Oc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 315.31 | Num_heavy_atoms: | 21 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
