Glycoside
GD115203
Name:
{3-[(10-methyloctadecanoyl)oxy]-2-(octadecanoyloxy)propoxy}({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C58H109O23PSmiles:
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)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: | 0.97 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 46 |
| MolWt: | 1205.46 | Num_heavy_atoms: | 82 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD45526
Formula: C46H89O13P
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 9.53 | Num_rotatable_bonds: | 40 |
| MolWt: | 881.18 | Num_heavy_atoms: | 60 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
