Glycoside
GD133623
Name:
[3-(hexadec-7-enoyloxy)-2-(octadec-11-enoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C49H89O18PSmiles:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CCCCCCCCC)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: | 0.88 |
| AlogP: | 5.88 | Num_rotatable_bonds: | 39 |
| MolWt: | 997.21 | Num_heavy_atoms: | 68 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD53352
Formula: C43H79O13P
Smiles:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 8.06 | Num_rotatable_bonds: | 36 |
| MolWt: | 835.07 | Num_heavy_atoms: | 57 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
