Glycoside
GD148093
Name:
2-{[5,9-dihydroxy-10,14-dimethyl-15-(3,5,6-trihydroxy-5,6-dimethylheptan-2-yl)-3-oxapentacyclo[9.7.0.0²,â´.0âµ,¹â°.0¹â´,¹â¸]octadecan-7-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C40H68O17Smiles:
CC(C(O)CC(C)(O)C(C)(C)O)C1CCC2C3C4OC4C4(O)CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CC(O)C4(C)C3CCC12CAglycone:
CC(C(O)CC(C)(O)C(C)(C)O)C1CCC2C3C4OC4C4(O)CC(O)CC(O)C4(C)C3CCC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 11 |
| MolWt: | 820.97 | Num_heavy_atoms: | 57 |
| TPSA: | 292.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD59276
Formula: C28H48O7
Smiles:
CC(C(O)CC(C)(O)C(C)(C)O)C1CCC2C3C4OC4C4(O)CC(O)CC(O)C4(C)C3CCC12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.69 | Num_heavy_atoms: | 35 |
| TPSA: | 133.91 | NumAromaticRings: | 0 |
