Glycoside
GD156336
Name:
2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C22H34O13Smiles:
COc1cc(CC(CO)OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(CC(O)CO)ccc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.5 | Num_heavy_atoms: | 35 |
| TPSA: | 207.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD10907
Formula: C10H14O4
Smiles:
COc1cc(CC(O)CO)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
