Glycoside
GD146476
Name:
5,7',13'-trimethyl-16'-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-10'-oneFormula:
C38H60O14Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3C1C2CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 740.88 | Num_heavy_atoms: | 52 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD58733
Formula: C26H40O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 416.6 | Num_heavy_atoms: | 30 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
