Glycoside
GD114205
Name:
21-HydroxysycophantineFormula:
C50H81O20NSmiles:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2COAglycone:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2COSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 1016.19 | Num_heavy_atoms: | 71 |
| TPSA: | 317.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD44898
Formula: C27H43O3N
Smiles:
CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CO| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 429.65 | Num_heavy_atoms: | 31 |
| TPSA: | 61.72 | NumAromaticRings: | 0 |
