Glycoside
GD125947
Name:
2-methyl-2-({3,4,5-trihydroxy-6-[({3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl}oxy)methyl]oxan-2-yl}oxy)propanoic acidFormula:
C30H36O14Smiles:
COc1cc(C2Oc3c(OC)cc(C=CC(=O)OCC4OC(OC(C)(C)C(=O)O)C(O)C(O)C4O)cc3C2CO)ccc1OAglycone:
CC(C)(O)C(=O)O.COC(=O)C=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 620.6 | Num_heavy_atoms: | 44 |
| TPSA: | 210.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD11383
Formula: C4H8O3
Smiles:
CC(C)(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD46454
Formula: C21H22O7
Smiles:
COC(=O)C=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
