Glycoside
GD144610
Name:
16-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,15-dihydroxyhexadecanoic acidFormula:
C28H52O15Smiles:
O=C(O)C(O)CCCCCCCCCCCCC(O)COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
O=C(O)C(O)CCCCCCCCCCCCC(O)COSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 21 |
| MolWt: | 628.71 | Num_heavy_atoms: | 43 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD55199
Formula: C16H32O5
Smiles:
O=C(O)C(O)CCCCCCCCCCCCC(O)CO| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 15 |
| MolWt: | 304.43 | Num_heavy_atoms: | 21 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
