Glycoside
GD009253
Name:
NoneFormula:
C26H51O13NP2Smiles:
CCCCCCCCCC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@H](OP(=O)(O)O)[C@H]1OC(=O)CCCCCCCCCAglycone:
CCCCCCCCCC(=O)O.CCCCCCCCCC(N)=O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 23 |
| MolWt: | 647.64 | Num_heavy_atoms: | 42 |
| TPSA: | 218.38 | 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 |
AD01332
Formula: C10H20O2
Smiles:
CCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 172.27 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02659
Formula: C10H21ON
Smiles:
CCCCCCCCCC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 171.28 | Num_heavy_atoms: | 12 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
