Glycoside
GD134993
Name:
2-[(5-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-8'-oloxy}oxan-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl)methoxy]oxane-3,4,5-triolFormula:
C43H68O17Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(COC8OCC(O)C(O)C8O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OC(COC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 857.0 | Num_heavy_atoms: | 60 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD05155
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
