Glycoside
GD039458
Name:
2,3-dideoxy-6-o-[2-deoxy-4-o-phosphono-2-(tetradecanoylamino)-alpha-l-gulopyranosyl]-1-o-phosphono-beta-d-threo-hexopyranoseFormula:
C26H51O15NP2Smiles:
CCCCCCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)CC[C@@H]2O)O[C@H](CO)[C@H](OP(=O)(O)O)[C@@H]1OAglycone:
CCCCCCCCCCCCCC(N)=O.O=P(O)(O)O.O=P(O)(O)OC1CCC(O)C(CO)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 21 |
| MolWt: | 679.63 | Num_heavy_atoms: | 44 |
| TPSA: | 251.0 | 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 |
AD08965
Formula: C14H29ON
Smiles:
CCCCCCCCCCCCCC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 227.39 | Num_heavy_atoms: | 16 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
AD24417
Formula: C6H13O7P
Smiles:
O=P(O)(O)OC1CCC(O)C(CO)O1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.14 | Num_heavy_atoms: | 14 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
