Glycoside
GD137478
Name:
2-{[3-hydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethylspiro[pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-6,2'-piperidin]-18-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C46H75O15NSmiles:
CC1CCC2(CC3CC4C5CC=C6CC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)NC1Aglycone:
CC1CCC2(CC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)NC1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 882.1 | Num_heavy_atoms: | 62 |
| TPSA: | 249.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD55539
Formula: C28H45ON
Smiles:
CC1CCC2(CC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)NC1| HBA: | 2 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.95 | Num_rotatable_bonds: | 0 |
| MolWt: | 411.67 | Num_heavy_atoms: | 30 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
