Glycoside
GD117916
Name:
[2-(heptadec-7-enoyloxy)-3-(tetradecanoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C46H85O18PSmiles:
CCCCCCCCCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCCCCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 37 |
| MolWt: | 957.14 | Num_heavy_atoms: | 65 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD47085
Formula: C40H75O13P
Smiles:
CCCCCCCCCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 7.11 | Num_rotatable_bonds: | 34 |
| MolWt: | 795.0 | Num_heavy_atoms: | 54 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
