Glycoside
GD026741
Name:
NoneFormula:
C24H35O9N7PClSmiles:
CCOC(=O)CNP(=O)(NCC(=O)OCC)OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CCOC(=O)CNP(=O)(NCC(=O)OCC)OC.Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 14 |
| MolWt: | 620.0 | Num_heavy_atoms: | 41 |
| TPSA: | 208.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD00055
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD17615
Formula: C9H19O6N2P
Smiles:
CCOC(=O)CNP(=O)(NCC(=O)OCC)OC| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 282.23 | Num_heavy_atoms: | 18 |
| TPSA: | 102.96 | NumAromaticRings: | 0 |
