Glycoside
GD150017
Name:
2-{[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H32O11Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(OC)C2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2c3cc(O)c(OC)cc3CC(OC)C2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD59954
Formula: C19H22O6
Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(OC)C2O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
