Glycoside
GD146317
Name:
[6-({2-[(2-{[6,10-dimethyl-2-(4-methylpent-3-en-1-yl)-13-(5-oxo-2,5-dihydrofuran-3-yl)trideca-2,6,10-trien-1-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetateFormula:
C45H70O19Smiles:
CC(=O)OCC1OC(OC2C(OC3C(OCC(=CCCC(C)=CCCC(C)=CCCC4=CC(=O)OC4)CCC=C(C)C)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)=CCCC(=CCCC(C)=CCCC(C)=CCCC1=CC(=O)OC1)CO.COC(C)=OSugarmoiety:
OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 23 |
| MolWt: | 915.04 | Num_heavy_atoms: | 64 |
| TPSA: | 290.05 | 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 |
AD47949
Formula: C25H38O3
Smiles:
CC(C)=CCCC(=CCCC(C)=CCCC(C)=CCCC1=CC(=O)OC1)CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 13 |
| MolWt: | 386.58 | Num_heavy_atoms: | 28 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
