Glycoside
GD033290
Name:
NoneFormula:
C16H27O11N3P2Smiles:
Nc1ccn(C2O[C@H](COP(=O)(O)OP(=O)(O)OCC3CCCCC3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OCC1CCCCC1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 499.35 | Num_heavy_atoms: | 32 |
| TPSA: | 212.89 | 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 |
AD21266
Formula: C8H18O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1CCCCC1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 288.17 | Num_heavy_atoms: | 17 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
