Glycoside
GD135240
Name:
2-[(acetyloxy)methyl]-3,5-dihydroxy-6-[(8-hydroxy-7-methyl-3-methylideneoct-6-en-1-yl)oxy]oxan-4-yl 2-methylbutanoateFormula:
C23H38O9Smiles:
C=C(CCC=C(C)CO)CCOC1OC(COC(C)=O)C(O)C(OC(=O)C(C)CC)C1OAglycone:
C=C(CCO)CCC=C(C)CO.CCC(C)C(=O)O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 13 |
| MolWt: | 458.55 | Num_heavy_atoms: | 32 |
| TPSA: | 131.75 | 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 |
AD00363
Formula: C5H10O2
Smiles:
CCC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD48264
Formula: C10H18O2
Smiles:
C=C(CCO)CCC=C(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
