Glycoside
GD114496
Name:
[3-(octadecanoyloxy)-2-(tetradecanoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C47H89O18PSmiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCC(=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: | 0.96 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 39 |
| MolWt: | 973.18 | Num_heavy_atoms: | 66 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD45092
Formula: C41H79O13P
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 7.72 | Num_rotatable_bonds: | 36 |
| MolWt: | 811.04 | Num_heavy_atoms: | 55 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
