Glycoside
GD139571
Name:
[2,3-bis(heptadec-7-enoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C49H89O18PSmiles:
CCCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCCCCAglycone:
CCCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCCCCSugarmoiety:
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
AD56281
Formula: C43H79O13P
Smiles:
CCCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCCCC| 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 |
