Glycoside
GD138303
Name:
2-[(2-{[1-(hexadecyloxy)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]propan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H68O17Smiles:
CCCCCCCCCCCCCCCCOCC(COC1OCC(O)C(O)C1O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCOCC(O)COSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 26 |
| MolWt: | 772.92 | Num_heavy_atoms: | 53 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD05501
Formula: C19H40O3
Smiles:
CCCCCCCCCCCCCCCCOCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 18 |
| MolWt: | 316.53 | Num_heavy_atoms: | 22 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
