Glycoside
GD119404
Name:
2-(3-{4-[(1,3-dihydroxypropan-2-yl)oxy]-3,5-dihydroxyphenyl}propoxy)-6-methyloxane-3,4,5-triolFormula:
C18H28O10Smiles:
CC1OC(OCCCc2cc(O)c(OC(CO)CO)c(O)c2)C(O)C(O)C1OAglycone:
OCCCc1cc(O)c(OC(CO)CO)c(O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 404.41 | Num_heavy_atoms: | 28 |
| TPSA: | 169.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD47830
Formula: C12H18O6
Smiles:
OCCCc1cc(O)c(OC(CO)CO)c(O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 258.27 | Num_heavy_atoms: | 18 |
| TPSA: | 110.38 | NumAromaticRings: | 1 |
