Glycoside
GD134941
Name:
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 3-hydroxy-2-tetradecyloctadecanoateFormula:
C44H84O13Smiles:
CCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCC(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: | 0.98 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 34 |
| MolWt: | 821.14 | Num_heavy_atoms: | 57 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD22433
Formula: C33H66O3
Smiles:
CCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 10.71 | Num_rotatable_bonds: | 29 |
| MolWt: | 510.89 | Num_heavy_atoms: | 36 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
