Glycoside
GD116193
Name:
5-oxo-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}docosa-13,16-dien-2-yl hexadecanoateFormula:
C50H90O14Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)CCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCC=CCC=CCCCCCCCC(=O)CCC(CO)OC(=O)CCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 7.18 | Num_rotatable_bonds: | 39 |
| MolWt: | 915.26 | Num_heavy_atoms: | 64 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD46099
Formula: C38H70O4
Smiles:
CCCCCC=CCC=CCCCCCCCC(=O)CCC(CO)OC(=O)CCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 11.53 | Num_rotatable_bonds: | 33 |
| MolWt: | 590.97 | Num_heavy_atoms: | 42 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
