Glycoside
GD121862
Name:
[2-(icosanoyloxy)-3-(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:
C59H107O23PSmiles:
CCCCCCCCCCCCCC=CC=CC(=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)CCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC=CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCSugarmoiety:
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: | 5.27 | Num_rotatable_bonds: | 46 |
| MolWt: | 1215.46 | Num_heavy_atoms: | 83 |
| TPSA: | 367.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD49075
Formula: C47H87O13P
Smiles:
CCCCCCCCCCCCCC=CC=CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCC| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 9.62 | Num_rotatable_bonds: | 40 |
| MolWt: | 891.17 | Num_heavy_atoms: | 61 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
