Glycoside
GD116629
Name:
(3,4-dihydroxy-6-{[7-hydroxy-2-(4-methoxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8aH-chromen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C43H50O22Smiles:
COc1ccc(C2=C(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C=C3C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=CC3O2)cc1Aglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1ccc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.47 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 14 |
| MolWt: | 918.85 | Num_heavy_atoms: | 65 |
| TPSA: | 342.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD46353
Formula: C16H14O5
Smiles:
COc1ccc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 79.15 | NumAromaticRings: | 1 |
