Glycoside
GD133137
Name:
[2,3-bis(pentadecanoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C45H85O18PSmiles:
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCC(=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: | 0.96 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 37 |
| MolWt: | 945.13 | Num_heavy_atoms: | 64 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD53898
Formula: C39H75O13P
Smiles:
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 6.94 | Num_rotatable_bonds: | 34 |
| MolWt: | 782.99 | Num_heavy_atoms: | 53 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
