Glycoside
GD137170
Name:
1-(5-ethenyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl)-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dioneFormula:
C30H38O13Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(CC(=O)CC(O)CC(=O)CCc3ccc(O)cc3)CC21Aglycone:
C=CC1C(O)OC=C2C(=O)OC(CC(=O)CC(O)CC(=O)CCc3ccc(O)cc3)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 13 |
| MolWt: | 606.62 | Num_heavy_atoms: | 43 |
| TPSA: | 209.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD55433
Formula: C24H28O8
Smiles:
C=CC1C(O)OC=C2C(=O)OC(CC(=O)CC(O)CC(=O)CCc3ccc(O)cc3)CC21| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 444.48 | Num_heavy_atoms: | 32 |
| TPSA: | 130.36 | NumAromaticRings: | 1 |
