Glycoside
GD139602
Name:
4-[2-(4-hydroxyphenyl)-2-oxoethoxy]-3,6,9-trimethylidene-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-2-oneFormula:
C29H34O11Smiles:
C=C1CC(OCC(=O)c2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
C=C1CC(OCC(=O)c2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.58 | Num_heavy_atoms: | 40 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD56294
Formula: C23H24O6
Smiles:
C=C1CC(OCC(=O)c2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.44 | Num_heavy_atoms: | 29 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
