Glycoside
GD141359
Name:
[2,3-bis(octadecanoyloxy)propoxy]({[3,4,5-trihydroxy-2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexyl]oxy})phosphinic acidFormula:
C57H107O23PSmiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCSugarmoiety:
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: | 4.93 | Num_rotatable_bonds: | 46 |
| MolWt: | 1191.43 | Num_heavy_atoms: | 81 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD48359
Formula: C45H87O13P
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 9.28 | Num_rotatable_bonds: | 40 |
| MolWt: | 867.15 | Num_heavy_atoms: | 59 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
