Glycoside
GD125324
Name:
1-(icos-11-enoyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl icos-11-enoateFormula:
C49H90O10Smiles:
CCCCCCCCC=CCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCC=CCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 10.89 | Num_rotatable_bonds: | 41 |
| MolWt: | 839.25 | Num_heavy_atoms: | 59 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD50682
Formula: C43H80O5
Smiles:
CCCCCCCCC=CCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCC=CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 13.07 | Num_rotatable_bonds: | 38 |
| MolWt: | 677.11 | Num_heavy_atoms: | 48 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
