Glycoside
GD115950
Name:
NoneFormula:
C61H96O26N2Smiles:
CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(CCC(OC5OCC(OC6OC(CO)C(O)C(O)C6N=C(C)O)C(O)C5OC5OC(COC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5N=C(C)O)C4(C)C)C(=CCC21C)O3Aglycone:
CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(CCC(O)C4(C)C)C(=CCC21C)O3Sugarmoiety:
CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.85 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 19 |
| MolWt: | 1273.43 | Num_heavy_atoms: | 89 |
| TPSA: | 426.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD00359
Formula: C29H44O3
Smiles:
CC(C)=CC(=O)CC(C)C1CCC2=C3CCC4C(C)(CCC(O)C4(C)C)C(=CCC21C)O3| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 7.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.67 | Num_heavy_atoms: | 32 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD04739
CC(O)=NC1C(OC2COC(O)C(OC3OC(COC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3N=C(C)O)C2O)OC(CO)C(O)C1O