Glycoside
GD121563
Name:
[2-(hexadecanoyloxy)-3-(pentadecanoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C52H97O23PSmiles:
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)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: | 0.96 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 41 |
| MolWt: | 1121.3 | Num_heavy_atoms: | 76 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD48941
Formula: C40H77O13P
Smiles:
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 7.33 | Num_rotatable_bonds: | 35 |
| MolWt: | 797.02 | Num_heavy_atoms: | 54 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
