Glycoside
GD136259
Name:
2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²³.0¹â·,²²]tetracos-4-en-7-yl}oxy)oxane-3,4,5-triolFormula:
C45H73O15NSmiles:
CC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OC(COC8OC(CO)C(OC9OC(C)C(O)C(O)C9O)C(O)C8O)C(O)C(O)C7O)CCC6(C)C5CCC43C)N2C1Aglycone:
CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 868.07 | Num_heavy_atoms: | 61 |
| TPSA: | 240.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD08056
Formula: C27H43ON
Smiles:
CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43C)N2C1| HBA: | 2 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 397.65 | Num_heavy_atoms: | 29 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
