Glycoside
GD130206
Name:
5,7',9',13'-tetramethyl-16'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-10'-oneFormula:
C34H54O9Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(OCC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2CAglycone:
COC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 606.8 | Num_heavy_atoms: | 43 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD52760
Formula: C28H44O4
Smiles:
COC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.96 |
| AlogP: | 5.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
