Glycoside
GD115628
Name:
{6-[(4,8-dihydroxynaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,5-dihydroxy-4-methoxybenzoateFormula:
C24H24O12Smiles:
COc1c(O)cc(C(=O)OCC2OC(Oc3ccc(O)c4cccc(O)c34)C(O)C(O)C2O)cc1OAglycone:
COC(=O)c1cc(O)c(OC)c(O)c1.Oc1ccc(O)c2c(O)cccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.44 | Num_heavy_atoms: | 36 |
| TPSA: | 195.6 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD45775
Formula: C9H10O5
Smiles:
COC(=O)c1cc(O)c(OC)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.17 | Num_heavy_atoms: | 14 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
