Glycoside
GD146902
Name:
[2-(octadec-11-enoyloxy)-3-(octadeca-2,4-dienoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C51H91O18PSmiles:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)C=CC=CCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)C=CC=CCCCCCCCCCCCCC)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: | 0.84 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 40 |
| MolWt: | 1023.25 | Num_heavy_atoms: | 70 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD48104
Formula: C45H81O13P
Smiles:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)C=CC=CCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 8.61 | Num_rotatable_bonds: | 37 |
| MolWt: | 861.1 | Num_heavy_atoms: | 59 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
