Glycoside
GD116532
Name:
2-{[4-hydroxy-6-(hydroxymethyl)-2-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-6,2'-piperidine]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C45H75O15NSmiles:
CC1CCC2(NC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 870.09 | Num_heavy_atoms: | 61 |
| TPSA: | 238.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD08743
Formula: C27H45O2N
Smiles:
CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 415.66 | Num_heavy_atoms: | 30 |
| TPSA: | 41.49 | NumAromaticRings: | 0 |
