Glycoside
GD028614
Name:
NoneFormula:
C25H43O10N8PSmiles:
C[C@H](NP(=O)(N[C@H](C)C(=O)OCC(C)(C)C)OC[C@]1(N=[N+]=[N-])O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)C(=O)OCC(C)(C)CAglycone:
COP(=O)(NC(C)C(=O)OCC(C)(C)C)NC(C)C(=O)OCC(C)(C)C.Nc1cc[nH]c(=O)n1Sugarmoiety:
[N-]=[N+]=NC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 13 |
| MolWt: | 646.64 | Num_heavy_atoms: | 44 |
| TPSA: | 262.32 | NumAromaticRings: | 1 |
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 |
AD01704
Formula: C17H35O6N2P
Smiles:
COP(=O)(NC(C)C(=O)OCC(C)(C)C)NC(C)C(=O)OCC(C)(C)C| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 394.45 | Num_heavy_atoms: | 26 |
| TPSA: | 102.96 | NumAromaticRings: | 0 |
