Glycoside
GD142086
Name:
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-[4-(1,3-dihydroxypropyl)-2-methoxyphenoxy]-2-(hydroxymethyl)oxane-3,4-diolFormula:
C21H32O13Smiles:
COc1cc(C(O)CCO)ccc1OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
COc1cc(C(O)CCO)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -3.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 492.47 | Num_heavy_atoms: | 34 |
| TPSA: | 207.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD57191
Formula: C10H14O4
Smiles:
COc1cc(C(O)CCO)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
