Glycoside
GD016660
Name:
{6-[(4,8-dihydroxynaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C25H26O12Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](Oc3ccc(O)c4cccc(O)c34)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.Oc1ccc(O)c2c(O)cccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.47 | Num_heavy_atoms: | 37 |
| TPSA: | 184.6 | NumAromaticRings: | 3 |
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 |
AD09199
Formula: C10H8O3
Smiles:
Oc1ccc(O)c2c(O)cccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
