Glycoside
GD153615
Name:
[3-(icosanoyloxy)-2-(octadec-11-enoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C59H109O23PSmiles:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.93 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 47 |
| MolWt: | 1217.47 | Num_heavy_atoms: | 83 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD53702
Formula: C47H89O13P
Smiles:
CCCCCCC=CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| 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 |
