Glycoside
GD148507
Name:
2-(3-{4-[(1,3-dihydroxypropan-2-yl)oxy]-3-methoxyphenyl}propoxy)-6-methyloxane-3,4,5-triolFormula:
C19H30O9Smiles:
COc1cc(CCCOC2OC(C)C(O)C(O)C2O)ccc1OC(CO)COAglycone:
COc1cc(CCCO)ccc1OC(CO)COSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 402.44 | Num_heavy_atoms: | 28 |
| TPSA: | 138.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD54001
Formula: C13H20O5
Smiles:
COc1cc(CCCO)ccc1OC(CO)CO| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 256.3 | Num_heavy_atoms: | 18 |
| TPSA: | 79.15 | NumAromaticRings: | 1 |
