Glycoside
GD124516
Name:
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C20H30O13Smiles:
COc1cc(CO)ccc1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc(CO)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.7 |
| AlogP: | -3.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 478.45 | Num_heavy_atoms: | 33 |
| TPSA: | 207.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD02836
Formula: C8H10O3
Smiles:
COc1cc(CO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
