Glycoside
GD132272
Name:
[2-(octadeca-2,4-dienoyloxy)-3-(tetradecanoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C53H95O23PSmiles:
CCCCCCCCCCCCCC=CC=CC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCC=CC=CC(=O)OC(COC(=O)CCCCCCCCCCCCC)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: | 0.89 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 40 |
| MolWt: | 1131.29 | Num_heavy_atoms: | 77 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD53544
Formula: C41H75O13P
Smiles:
CCCCCCCCCCCCCC=CC=CC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 7.28 | Num_rotatable_bonds: | 34 |
| MolWt: | 807.01 | Num_heavy_atoms: | 55 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
