Glycoside
GD143864
Name:
[(6-{[6-(2,3-dihydroxypropoxy)-3,4-dihydroxy-5-(3-hydroxytetradecanamido)oxan-2-yl]methoxy}-5-[3-(dodecanoyloxy)tetradecanamido]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]phosphonic acidFormula:
C55H105O19N2PSmiles:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(O)=NC1C(OCC2OC(OCC(O)CO)C(N=C(O)CC(O)CCCCCCCCCCC)C(O)C2O)OC(CO)C(OP(=O)(O)O)C1OAglycone:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=N)O.CCCCCCCCCCCC(O)CC(=N)O.O=P(O)(O)O.OCC(O)COSugarmoiety:
OCC(O)COC(O)C(O)C(O)O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | 7.84 | Num_rotatable_bonds: | 47 |
| MolWt: | 1129.41 | Num_heavy_atoms: | 77 |
| TPSA: | 336.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
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 |
AD47634
Formula: C26H51O3N
Smiles:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=N)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 8.67 | Num_rotatable_bonds: | 23 |
| MolWt: | 425.7 | Num_heavy_atoms: | 30 |
| TPSA: | 70.38 | NumAromaticRings: | 0 |
AD48216
Formula: C14H29O2N
Smiles:
CCCCCCCCCCCC(O)CC(=N)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 243.39 | Num_heavy_atoms: | 17 |
| TPSA: | 64.31 | NumAromaticRings: | 0 |
