Glycoside
GD124197
Name:
({6-[({3-[3-(dodecanoyloxy)tetradecanamido]-4-hydroxy-6-(hydroxymethyl)-5-(phosphonooxy)oxan-2-yl}oxy)methyl]-4,5-dihydroxy-3-(3-hydroxytetradecanamido)oxan-2-yl}oxy)phosphonic acidFormula:
C52H100O20N2P2Smiles:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(O)=NC1C(OCC2OC(OP(=O)(O)O)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.O=P(O)(O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | 8.58 | Num_rotatable_bonds: | 45 |
| MolWt: | 1135.31 | Num_heavy_atoms: | 76 |
| TPSA: | 353.84 | 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 |
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 |
