Glycoside
GD139697
Name:
2-[(4,5-dihydroxy-2-{1',5,7',9',13'-pentamethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C46H74O17Smiles:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CC5=CCC43C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(O)CC5=CCC43C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 899.08 | Num_heavy_atoms: | 63 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD45962
Formula: C28H44O3
Smiles:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(O)CC5=CCC43C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 6.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 428.66 | Num_heavy_atoms: | 31 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
