Glycoside
GD105981
Name:
NoneFormula:
C22H32O15N5P2Smiles:
CC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]cnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1Aglycone:
CC(=O)c1ccc[nH+]c1.CO[PH](O)(O)O[PH](O)(O)OC.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -3.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 668.47 | Num_heavy_atoms: | 44 |
| TPSA: | 292.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD24014
Formula: C7H8ON
Smiles:
CC(=O)c1ccc[nH+]c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.15 | Num_heavy_atoms: | 9 |
| TPSA: | 31.21 | NumAromaticRings: | 1 |
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 |
