Glycoside
GD120118
Name:
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 3-hydroxy-2-tetradecyloctadec-11-enoateFormula:
C44H82O13Smiles:
CCCCCCC=CCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCC=CCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OCSugarmoiety:
OCC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 33 |
| MolWt: | 819.13 | Num_heavy_atoms: | 57 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD48217
Formula: C33H64O3
Smiles:
CCCCCCC=CCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 10.48 | Num_rotatable_bonds: | 28 |
| MolWt: | 508.87 | Num_heavy_atoms: | 36 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
