Glycoside
GD143149
Name:
[6-({3-[2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoateFormula:
C32H40O13Smiles:
C=C(CCO)C(=O)OCC1OC(OCC=Cc2cc(OC)c3c(c2)C(CO)C(c2ccc(OC)c(OC)c2)O3)C(O)C(O)C1OAglycone:
C=C(CCO)C(=O)OC.COc1ccc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)cc1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 14 |
| MolWt: | 632.66 | Num_heavy_atoms: | 45 |
| TPSA: | 182.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD02615
Formula: C6H10O3
Smiles:
C=C(CCO)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD57582
Formula: C21H24O6
Smiles:
COc1ccc(C2Oc3c(OC)cc(C=CCO)cc3C2CO)cc1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
