Glycoside
GD134980
Name:
3-(octadec-6-en-1-yloxy)-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-{2-[(2-hydroxynonadec-10-en-1-yl)oxy]-2-oxoethyl}oxan-2-yl)oxy]methyl}oxan-2-yl)oxy]propyl 3-hydroxyicos-11-enoateFormula:
C73H134O17Smiles:
CCCCCCCCC=CCCCCCCCC(O)COC(=O)CC1OC(OCC2OC(OC(COCCCCCC=CCCCCCCCCCCC)COC(=O)CC(O)CCCCCCCC=CCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCCCC=CCCCCCCCC(O)CC(=O)OCC(O)COCCCCCC=CCCCCCCCCCCC.CCCCCCCCC=CCCCCCCCC(O)COC(C)=OSugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 13.72 | Num_rotatable_bonds: | 61 |
| MolWt: | 1283.86 | Num_heavy_atoms: | 90 |
| TPSA: | 260.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD51184
Formula: C21H40O3
Smiles:
CCCCCCCCC=CCCCCCCCC(O)COC(C)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 5.95 | Num_rotatable_bonds: | 17 |
| MolWt: | 340.55 | Num_heavy_atoms: | 24 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD54604
Formula: C41H78O5
Smiles:
CCCCCCCCC=CCCCCCCCC(O)CC(=O)OCC(O)COCCCCCC=CCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 11.73 | Num_rotatable_bonds: | 37 |
| MolWt: | 651.07 | Num_heavy_atoms: | 46 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
