Glycoside
GD140673
Name:
{2-[(10-methyloctadecanoyl)oxy]-3-(tetradecanoyloxy)propoxy}[(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C48H91O18PSmiles:
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCC(C)CCCCCCCCAglycone:
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCC(C)CCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 39 |
| MolWt: | 987.21 | Num_heavy_atoms: | 67 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD54052
Formula: C42H81O13P
Smiles:
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCC(C)CCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 7.97 | Num_rotatable_bonds: | 36 |
| MolWt: | 825.07 | Num_heavy_atoms: | 56 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
