Glycoside
GD156589
Name:
1,7-bis(3,4-dihydroxyphenyl)-5-[(3,4,5-trihydroxyoxan-2-yl)methyl]heptan-3-oneFormula:
C25H32O9Smiles:
O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)CC1OCC(O)C(O)C1OAglycone:
CC(CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 476.52 | Num_heavy_atoms: | 34 |
| TPSA: | 167.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD61985
Formula: C20H24O5
Smiles:
CC(CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 344.41 | Num_heavy_atoms: | 25 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
