Glycoside
GD114243
Name:
2-[5-(1,2-dihydroxyethyl)-2-hydroxyphenoxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C20H30O13Smiles:
CC1OC(OCC2OC(Oc3cc(C(O)CO)ccc3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OCC(O)c1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.7 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.45 | Num_heavy_atoms: | 33 |
| TPSA: | 218.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD44929
Formula: C8H10O4
Smiles:
OCC(O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.16 | Num_heavy_atoms: | 12 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
