Glycoside
GD128275
Name:
1-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(1-hydroxyhexyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-oneFormula:
C25H34O9Smiles:
CCCCCC(O)C1OC(Oc2cc(OC)cc3cc(C)c(C(C)=O)c(O)c23)C(O)C(O)C1OAglycone:
CCCCCCO.COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 478.54 | Num_heavy_atoms: | 34 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD00066
Formula: C6H14O
Smiles:
CCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 102.18 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD15787
Formula: C14H14O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
