Glycoside
GD126200
Name:
5,7',9',13'-tetramethyl-16',19'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-10'-oneFormula:
C39H62O15Smiles:
CC1CCC2(OC1)OC1CC3C4CC(OC5OC(CO)C(O)C(O)C5O)C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 770.91 | Num_heavy_atoms: | 54 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD09980
Formula: C27H42O5
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
