Glycoside
GD132900
Name:
2-{[2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-6,2'-piperidin]-18-eneoxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C45H73O14NSmiles:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6CC(OC7OC(C)C(O)C(O)C7O)C(OC7OC(C)C(O)C(O)C7O)C(CO)O6)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2CC(O)OC(CO)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 852.07 | Num_heavy_atoms: | 60 |
| TPSA: | 218.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD07171
Formula: C27H43O2N
Smiles:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 413.65 | Num_heavy_atoms: | 30 |
| TPSA: | 41.49 | NumAromaticRings: | 0 |
