Glycoside
GD131729
Name:
2-{[4,5-dihydroxy-6-({13-hydroxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²³.0¹â·,²²]tetracos-4-en-7-yl}oxy)-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C39H63O11NSmiles:
CC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CC(O)C43C)N2C1Aglycone:
CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CC(O)C43C)N2C1Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 721.93 | Num_heavy_atoms: | 51 |
| TPSA: | 181.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD53353
Formula: C27H43O2N
Smiles:
CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CC(O)C43C)N2C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 413.65 | Num_heavy_atoms: | 30 |
| TPSA: | 43.7 | NumAromaticRings: | 0 |
