Glycoside
GD155675
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5',7,9,13-tetramethyl-5,19,20-trioxaspiro[hexacyclo[16.2.2.0¹,¹².0²,â¹.0â´,â¸.0¹³,¹â¸]docosane-6,2'-oxan]-21-eneoxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C39H60O14Smiles:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C35C=CC3(CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC43C)OO5)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C35C=CC3(CC(O)CCC43C)OO5)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 10 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 752.9 | Num_heavy_atoms: | 53 |
| TPSA: | 195.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD56957
Formula: C27H40O5
Smiles:
CC1CCC2(OC1)OC1CC3C(C)(CCC4C35C=CC3(CC(O)CCC43C)OO5)C1C2C| HBA: | 5 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 57.15 | NumAromaticRings: | 0 |
