Glycoside
GD039578
Name:
2-deoxy-3-o-[(3r)-3-hydroxytetradecanoyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-4-o-phosphono-beta-d-glucopyranoseFormula:
C34H66O12NPSmiles:
CCCCCCCCCCC[C@H](O)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](O)O[C@H](CO)[C@@H]1OP(=O)(O)OAglycone:
CCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(O)CC(N)=O.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 29 |
| MolWt: | 711.87 | Num_heavy_atoms: | 48 |
| TPSA: | 212.31 | 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 |
AD00507
Formula: C14H28O3
Smiles:
CCCCCCCCCCCC(O)CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 244.37 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD00508
Formula: C14H29O2N
Smiles:
CCCCCCCCCCCC(O)CC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 243.39 | Num_heavy_atoms: | 17 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
