Glycoside
GD145187
Name:
7-hydroxy-4,6,8,10,12,14,16,18,20-nonamethyl-1-[(1,2,4,5,6-pentahydroxyhexan-3-yl)oxy]-15-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}docosa-4,8,12-trien-3-oneFormula:
C44H80O13Smiles:
CCC(C)CC(C)CC(C)C(OC1CC(CO)C(O)C(O)C1O)C(C)C=C(C)CC(C)C=C(C)C(O)C(C)C=C(C)C(=O)CCOC(C(O)CO)C(O)C(O)COAglycone:
CCC(=O)C(C)=CC(C)C(O)C(C)=CC(C)CC(C)=CC(C)C(OC1CC(CO)C(O)C(O)C1O)C(C)CC(C)CC(C)CCSugarmoiety:
OCC(O)C(O)C(OO)C(O)COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.84 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 27 |
| MolWt: | 817.11 | Num_heavy_atoms: | 57 |
| TPSA: | 237.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD58291
Formula: C38H68O7
Smiles:
CCC(=O)C(C)=CC(C)C(O)C(C)=CC(C)CC(C)=CC(C)C(OC1CC(CO)C(O)C(O)C1O)C(C)CC(C)CC(C)CC| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 19 |
| MolWt: | 636.95 | Num_heavy_atoms: | 45 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
