Glycoside
GD149645
Name:
[2-(icosanoyloxy)-3-(octadec-11-enoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C53H99O18PSmiles:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 7.67 | Num_rotatable_bonds: | 44 |
| MolWt: | 1055.33 | Num_heavy_atoms: | 72 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD50532
Formula: C47H89O13P
Smiles:
CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 9.84 | Num_rotatable_bonds: | 41 |
| MolWt: | 893.19 | Num_heavy_atoms: | 61 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
