Glycoside
GD113942
Name:
NoneFormula:
C38H62O9N2Smiles:
CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1O[C@H](OCc2ccccc2)[C@H](NC(C)=O)[C@@H](O[C@H](C)C(=O)O)[C@@H]1OC(C)=OAglycone:
CC(O)C(=O)O.CCCCCCCCCCCCCCCCCCNC=O.OCc1ccccc1Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 6.6 | Num_rotatable_bonds: | 26 |
| MolWt: | 690.92 | Num_heavy_atoms: | 49 |
| TPSA: | 149.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00056
Formula: C3H6O3
Smiles:
CC(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD44841
Formula: C19H39ON
Smiles:
CCCCCCCCCCCCCCCCCCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 5.99 | Num_rotatable_bonds: | 18 |
| MolWt: | 297.53 | Num_heavy_atoms: | 21 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
