Glycoside
GD121524
Name:
2-{2-[2,6-dimethoxy-4-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-1-yl)phenoxy]-3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H48O19Smiles:
COc1cc(C(OC2OC(CO)C(O)C(O)C2O)C(CO)Oc2c(OC)cc(C=CCOC3OC(CO)C(O)C(O)C3O)cc2OC)cc(OC)c1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 17 |
| MolWt: | 760.74 | Num_heavy_atoms: | 53 |
| TPSA: | 285.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD48922
Formula: C22H28O9
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 436.46 | Num_heavy_atoms: | 31 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
