Glycoside
GD153866
Name:
5',7,9,13-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxaspiro[pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-6,2'-piperidin]-18-en-1'-iumFormula:
C33H54O7NSmiles:
CC1CCC2([NH2+]C1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2([NH2+]C1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 576.8 | Num_heavy_atoms: | 41 |
| TPSA: | 125.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD61161
Formula: C27H44O2N
Smiles:
CC1CCC2([NH2+]C1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.65 | Num_heavy_atoms: | 30 |
| TPSA: | 46.07 | NumAromaticRings: | 0 |
