Glycoside
GD129159
Name:
3,4,16'-trihydroxy-14'-({5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5,7',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-2'(9'),18'-dien-3'-oneFormula:
C42H62O19Smiles:
CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C45C)C3C2C)C(O)C1OAglycone:
CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2C)C(O)C1OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.88 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 870.94 | Num_heavy_atoms: | 61 |
| TPSA: | 293.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD48585
Formula: C26H36O7
Smiles:
CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2C)C(O)C1O| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 460.57 | Num_heavy_atoms: | 33 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
