Glycoside
GD143134
Name:
1,2,4,5,6-pentahydroxyhexan-3-yl 13-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10-trienoateFormula:
C43H76O16Smiles:
CCC(C)CC(C)CC(C)C(OC1OC(COC(C)=O)C(O)C(O)C1O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(=O)OC(C(O)CO)C(O)C(O)COAglycone:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C=O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC(O)C(O)C(OO)C(O)COOther Identifiers
Properties
| HBA: | 16 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.81 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 25 |
| MolWt: | 849.07 | Num_heavy_atoms: | 59 |
| TPSA: | 273.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD06935
Formula: C29H52O4
Smiles:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 464.73 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
