Glycoside
GD114852
Name:
2-{2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-(3-hydroxyprop-1-en-1-yl)-6-methoxyphenoxy}oxane-3,4,5-triolFormula:
C25H32O10Smiles:
COc1cc(CC(CO)c2cc(C=CCO)cc(OC)c2OC2OCC(O)C(O)C2O)ccc1OAglycone:
COc1cc(CC(CO)c2cc(C=CCO)cc(OC)c2O)ccc1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 492.52 | Num_heavy_atoms: | 35 |
| TPSA: | 158.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD05909
Formula: C20H24O6
Smiles:
COc1cc(CC(CO)c2cc(C=CCO)cc(OC)c2O)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
