Glycoside
GD105859
Name:
NoneFormula:
C23H38O17N5P3Smiles:
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OC[C@H]3O[C@H]([n+]4c[nH]c5c(N)cccc54)[C@H](O[PH](O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1Aglycone:
CO[PH](O)(O)O[PH](O)(O)OC.NC(=O)c1ccc[nH+]c1.Nc1cccc2[nH+]c[nH]c12.O[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 15 | FractionCSP3: | 0.43 |
| AlogP: | -4.39 | Num_rotatable_bonds: | 13 |
| MolWt: | 749.5 | Num_heavy_atoms: | 48 |
| TPSA: | 350.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00069
Formula: C6H7ON2
Smiles:
NC(=O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.13 | Num_heavy_atoms: | 9 |
| TPSA: | 57.23 | NumAromaticRings: | 1 |
AD24820
Formula: H5O4P
Smiles:
O[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.01 | Num_heavy_atoms: | 5 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
AD40426
Formula: C2H12O7P2
Smiles:
CO[PH](O)(O)O[PH](O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.06 | Num_heavy_atoms: | 11 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
AD44083
Formula: C7H8N3
Smiles:
Nc1cccc2[nH+]c[nH]c12| HBA: | 3 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.16 | Num_heavy_atoms: | 10 |
| TPSA: | 55.95 | NumAromaticRings: | 2 |
