Glycoside
GD155429
Name:
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¸]icosane-6,14,15,16,17,18-hexolFormula:
C33H56O13Smiles:
CC(CCC1(O)OC2CC3C4CCC5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CCC5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 660.8 | Num_heavy_atoms: | 46 |
| TPSA: | 229.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD61662
Formula: C27H46O8
Smiles:
CC(CO)CCC1(O)OC2CC3C4CCC5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 498.66 | Num_heavy_atoms: | 35 |
| TPSA: | 150.84 | NumAromaticRings: | 0 |
