Glycoside
GD018090
Name:
NoneFormula:
C13H24O16N3P3Smiles:
NCCOCCOCc1cn(C2CC(O)C(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=OAglycone:
NCCOCCOCc1c[nH]c(=O)[nH]c1=O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 14 |
| MolWt: | 571.26 | Num_heavy_atoms: | 35 |
| TPSA: | 288.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD00437
Formula: H5O10P3
Smiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.95 | Num_heavy_atoms: | 13 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
AD12818
Formula: C9H15O4N3
Smiles:
NCCOCCOCc1c[nH]c(=O)[nH]c1=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 229.24 | Num_heavy_atoms: | 16 |
| TPSA: | 110.2 | NumAromaticRings: | 1 |
