Glycoside
GD018760
Name:
NoneFormula:
C38H75O13NP2Smiles:
CCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(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: | 0.95 |
| AlogP: | 8.65 | Num_rotatable_bonds: | 35 |
| MolWt: | 815.96 | Num_heavy_atoms: | 54 |
| 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 |
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01978
Formula: C16H33ON
Smiles:
CCCCCCCCCCCCCCCC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 14 |
| MolWt: | 255.45 | Num_heavy_atoms: | 18 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
