Glycoside
GD134808
Name:
[(5-amino-6-{[5-amino-6-(2,3-dihydroxypropoxy)-3,4-dihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxan-2-yl)methoxy](2,3-dihydroxypropoxy)phosphinic acidFormula:
C18H37O16N2PSmiles:
NC1C(OCC(O)CO)OC(COC2OC(COP(=O)(O)OCC(O)CO)C(O)C(O)C2N)C(O)C1OAglycone:
COP(=O)(O)OCC(O)CO.OCC(O)COSugarmoiety:
NC1C(OCC2OC(O)C(N)C(O)C2O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -6.59 | Num_rotatable_bonds: | 14 |
| MolWt: | 568.47 | Num_heavy_atoms: | 37 |
| TPSA: | 306.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
AD06633
Formula: C4H11O6P
Smiles:
COP(=O)(O)OCC(O)CO| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 186.1 | Num_heavy_atoms: | 11 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
