Glycoside
GD125102
Name:
2-{[2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxyprop-1-en-1-yl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H32O11Smiles:
COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2COC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD04143
Formula: C20H22O6
Smiles:
COc1cc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
