Glycoside
GD117870
Name:
{3-[(10-methyloctadecanoyl)oxy]-2-(octadeca-2,4-dienoyloxy)propoxy}({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C58H105O23PSmiles:
CCCCCCCCCCCCCC=CC=CC(=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:
CCCCCCCCCCCCCC=CC=CC(=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: | 0.9 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 44 |
| MolWt: | 1201.43 | Num_heavy_atoms: | 82 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD47057
Formula: C46H85O13P
Smiles:
CCCCCCCCCCCCCC=CC=CC(=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: | 0.87 |
| AlogP: | 9.08 | Num_rotatable_bonds: | 38 |
| MolWt: | 877.15 | Num_heavy_atoms: | 60 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
