Glycoside
GD040432
Name:
[2,3-bis(hexadecanoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C53H99O23PSmiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)C(O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 42 |
| MolWt: | 1135.33 | Num_heavy_atoms: | 77 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD15454
Formula: C41H79O13P
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 7.72 | Num_rotatable_bonds: | 36 |
| MolWt: | 811.04 | Num_heavy_atoms: | 55 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
