Glycoside
GD120174
Name:
[3-(hexadec-7-enoyloxy)-2-(tetradecanoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C45H83O18PSmiles:
CCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 36 |
| MolWt: | 943.11 | Num_heavy_atoms: | 64 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD47876
Formula: C39H73O13P
Smiles:
CCCCCCCCC=CCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 6.72 | Num_rotatable_bonds: | 33 |
| MolWt: | 780.97 | Num_heavy_atoms: | 53 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
