Glycoside
GD117062
Name:
2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-ene-8',16'-dioloxy}oxane-3,4,5-triolFormula:
C32H48O9Smiles:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6O)C5(C)C4CCC3(C)C1(O)C2CAglycone:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1(O)C2CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 576.73 | Num_heavy_atoms: | 41 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD46610
Formula: C27H40O5
Smiles:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1(O)C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
