Glycoside
GD147582
Name:
1-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-hydroxy-6-methoxyphenyl}ethan-1-oneFormula:
C20H28O13Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)cc(O)c1C(C)=OAglycone:
COc1cc(O)cc(O)c1C(C)=OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 476.43 | Num_heavy_atoms: | 33 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD04676
Formula: C9H10O4
Smiles:
COc1cc(O)cc(O)c1C(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
