Glycoside
GD027519
Name:
NoneFormula:
C17H21O8N3PCl3Smiles:
CCCOP(=O)(OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1O)OCC(Cl)(Cl)ClAglycone:
CCCOP(=O)(OC)OCC(Cl)(Cl)Cl.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 496.67 | Num_heavy_atoms: | 29 |
| TPSA: | 155.36 | 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 |
AD18081
Formula: C9H12O4PCl3
Smiles:
CCCOP(=O)(OC)OCC(Cl)(Cl)Cl| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 285.49 | Num_heavy_atoms: | 14 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
