Glycoside
GD124807
Name:
3,6,9-trimethylidene-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-4-yl 2-(4-methoxyphenyl)acetateFormula:
C30H36O11Smiles:
C=C1CC(OC(=O)Cc2ccc(OC)cc2)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
C=C1CC(OC(=O)Cc2ccc(OC)cc2)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 572.61 | Num_heavy_atoms: | 41 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD50442
Formula: C24H26O6
Smiles:
C=C1CC(OC(=O)Cc2ccc(OC)cc2)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.47 | Num_heavy_atoms: | 30 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
