Glycoside
GD022303
Name:
NoneFormula:
C20H30O8N3PSmiles:
Nc1ccn(C2O[C@H](COP(=O)(O)OCC34CC5CC(CC(C5)C3)C4)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OCC12CC3CC(CC(C3)C1)C2.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 471.45 | Num_heavy_atoms: | 32 |
| TPSA: | 166.36 | 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 |
AD15140
Formula: C12H21O4P
Smiles:
COP(=O)(O)OCC12CC3CC(CC(C3)C1)C2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 260.27 | Num_heavy_atoms: | 17 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
