Glycoside
GD154011
Name:
3-{2-hydroxy-7-[5-(1,2,3,4-tetrahydroxynonadecyl)oxolan-2-yl]heptyl}-5-methyl-2,5-dihydrofuran-2-oneFormula:
C35H64O8Smiles:
CCCCCCCCCCCCCCCC(O)C(O)C(O)C(O)C1CCC(CCCCCC(O)CC2=CC(C)OC2=O)O1Aglycone:
CC1C=C(CC(O)CCCCCC2CCCO2)C(=O)O1.CCCCCCCCCCCCCCCSugarmoiety:
OC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 26 |
| MolWt: | 612.89 | Num_heavy_atoms: | 43 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD61209
Formula: C16H26O4
Smiles:
CC1C=C(CC(O)CCCCCC2CCCO2)C(=O)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 282.38 | Num_heavy_atoms: | 20 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD61210
Formula: C15H32
Smiles:
CCCCCCCCCCCCCCC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 6.1 | Num_rotatable_bonds: | 12 |
| MolWt: | 212.42 | Num_heavy_atoms: | 15 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
