Glycoside
GD126977
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-16'-oloxy}oxan-3-yl]oxy}oxane-3,4,5-triolFormula:
C38H62O13Smiles:
CC1CCC2(OC1)OC1CC3C4CC(OC5OC(CO)C(O)C(O)C5OC5OCC(O)C(O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 726.9 | Num_heavy_atoms: | 51 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD01515
Formula: C27H44O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
