Glycoside
GD153211
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-ethyl-2-hydroxy-3-oxobutanoateFormula:
C27H36O12Smiles:
C=C1CC(OC(=O)C(O)(CC)C(C)=O)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
C=C1CC(OC(=O)C(O)(CC)C(C)=O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD60952
Formula: C21H26O7
Smiles:
C=C1CC(OC(=O)C(O)(CC)C(C)=O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
