Glycoside
GD126489
Name:
3-(hexadecyloxy)-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:
C71H132O17Smiles:
CCCCCCCCC=CCCCCCCCC(O)COC(=O)CC1OC(OCC2OC(OC(COCCCCCCCCCCCCCCCC)COC(=O)CC(O)CCCCCCCC=CCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCCCC=CCCCCCCCC(O)CC(=O)OCC(O)COCCCCCCCCCCCCCCCC.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: | 0.92 |
| AlogP: | 13.16 | Num_rotatable_bonds: | 60 |
| MolWt: | 1257.82 | Num_heavy_atoms: | 88 |
| TPSA: | 260.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD51183
Formula: C39H76O5
Smiles:
CCCCCCCCC=CCCCCCCCC(O)CC(=O)OCC(O)COCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 11.18 | Num_rotatable_bonds: | 36 |
| MolWt: | 625.03 | Num_heavy_atoms: | 44 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
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 |
