Glycoside
GD133290
Name:
1-[8-({4,5-dihydroxy-6-[(6-hydroxy-3,4,5-trimethyloxan-2-yl)methoxy]-2-(hydroxymethyl)oxan-3-yl}oxy)-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl]ethan-1-oneFormula:
C29H40O11Smiles:
COc1cc(OC2C(CO)OC(OCC3OC(O)C(C)C(C)C3C)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1Aglycone:
CC1C(O)OC(CO)C(C)C1C.COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 564.63 | Num_heavy_atoms: | 40 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD53955
Formula: C9H18O3
Smiles:
CC1C(O)OC(CO)C(C)C1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 174.24 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
