Glycoside
GD012787
Name:
NoneFormula:
C15H27O13N3P2Smiles:
C[C@](O)(CO)[C@H](O)COP(=O)(O)CP(=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)C[PH](=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
CC(O)(CO)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | -3.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 519.34 | Num_heavy_atoms: | 33 |
| TPSA: | 264.35 | 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 |
AD09603
Formula: C2H8O5P2
Smiles:
COP(=O)(O)C[PH](=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 174.03 | Num_heavy_atoms: | 9 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
