Glycoside
GD131516
Name:
[2,3-bis(hexadec-7-enoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C47H85O18PSmiles:
CCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 37 |
| MolWt: | 969.15 | Num_heavy_atoms: | 66 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD47091
Formula: C41H75O13P
Smiles:
CCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 7.28 | Num_rotatable_bonds: | 34 |
| MolWt: | 807.01 | Num_heavy_atoms: | 55 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
