Glycoside
GD123141
Name:
(6-{3,5-dihydroxy-2-[3-(4-methoxyphenyl)-3-oxopropyl]-4,6-dimethylphenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C26H32O11Smiles:
COc1ccc(C(=O)CCc2c(O)c(C)c(O)c(C)c2OC2OC(COC(C)=O)C(O)C(O)C2O)cc1Aglycone:
COC(C)=O.COc1ccc(C(=O)CCc2c(O)c(C)c(O)c(C)c2O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
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 |
AD49675
Formula: C18H20O5
Smiles:
COc1ccc(C(=O)CCc2c(O)c(C)c(O)c(C)c2O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.35 | Num_heavy_atoms: | 23 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
