Glycoside
GD137009
Name:
1-[1-hydroxy-6-methoxy-3-methyl-8-({3,4,5-trihydroxy-6-[1-hydroxy-2-(3-hydroxyphenyl)ethyl]oxan-2-yl}oxy)naphthalen-2-yl]ethan-1-oneFormula:
C27H30O10Smiles:
COc1cc(OC2OC(C(O)Cc3cccc(O)c3)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1.OCCc1cccc(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 514.53 | Num_heavy_atoms: | 37 |
| TPSA: | 166.14 | NumAromaticRings: | 3 |
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 |
AD48192
Formula: C8H10O2
Smiles:
OCCc1cccc(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
