Glycoside
GD147403
Name:
[2,3-bis(octadeca-2,4-dienoyloxy)propoxy][(2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]phosphinic acidFormula:
C51H89O18PSmiles:
CCCCCCCCCCCCCC=CC=CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)C=CC=CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC=CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)C=CC=CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.8 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 39 |
| MolWt: | 1021.23 | Num_heavy_atoms: | 70 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD55247
Formula: C45H79O13P
Smiles:
CCCCCCCCCCCCCC=CC=CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)C=CC=CCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 8.39 | Num_rotatable_bonds: | 36 |
| MolWt: | 859.09 | Num_heavy_atoms: | 59 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
