Glycoside
GD117769
Name:
2-{[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H28O10Smiles:
COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)CCC(c1ccc(O)c(OC)c1)O2Aglycone:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(OC)c1)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.47 | Num_heavy_atoms: | 33 |
| TPSA: | 147.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD47000
Formula: C17H18O5
Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(OC)c1)CC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.33 | Num_heavy_atoms: | 22 |
| TPSA: | 68.15 | NumAromaticRings: | 2 |
