Glycoside
GD132676
Name:
6,16-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-10-oneFormula:
C33H52O10Smiles:
CC(CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.77 | Num_heavy_atoms: | 43 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD53271
Formula: C27H42O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
