Glycoside
GD093408
Name:
NoneFormula:
C10H22O14N3P3Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)O[C@H]1n1ccc(N)nc1=OAglycone:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 501.22 | Num_heavy_atoms: | 30 |
| TPSA: | 265.74 | 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 |
AD40402
Formula: CH11O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.01 | Num_heavy_atoms: | 14 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
