Glycoside
GD028814
Name:
NoneFormula:
C16H19O8N3PCl3Smiles:
CCOP(=O)(OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1O)OCC(Cl)(Cl)ClAglycone:
CCOP(=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: | 0.69 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 482.64 | Num_heavy_atoms: | 28 |
| 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 |
AD18783
Formula: C8H10O4PCl3
Smiles:
CCOP(=O)(OC)OCC(Cl)(Cl)Cl| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.46 | Num_heavy_atoms: | 13 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
