Glycoside
GD140692
Name:
[3,4,5-trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methyl 3,5-dimethoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]benzoateFormula:
C28H36O16Smiles:
COc1cc(OC2OC(COC(=O)c3cc(OC)c(OC4OC(C)C(O)C(O)C4O)c(OC)c3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc(O)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 628.58 | Num_heavy_atoms: | 44 |
| TPSA: | 232.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD00096
Formula: C7H8O3
Smiles:
COc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
