Glycoside
GD142439
Name:
[3-(octadec-11-enoyloxy)-2-(pentadecanoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C48H89O18PSmiles:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCAglycone:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 39 |
| MolWt: | 985.2 | Num_heavy_atoms: | 67 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD46422
Formula: C42H79O13P
Smiles:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 7.89 | Num_rotatable_bonds: | 36 |
| MolWt: | 823.05 | Num_heavy_atoms: | 56 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
