Glycoside
GD111149
Name:
NoneFormula:
C30H30O10N4Smiles:
CC(=O)O[C@@H](c1nc2ccccc2n1C(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1nc2ccccc2n1C(C)=OAglycone:
CC(=O)n1cnc2ccccc21.CC(=O)n1cnc2ccccc21Sugarmoiety:
CC(=O)OC(O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 606.59 | Num_heavy_atoms: | 44 |
| TPSA: | 174.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD44695
Formula: C9H8ON2
Smiles:
CC(=O)n1cnc2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 160.18 | Num_heavy_atoms: | 12 |
| TPSA: | 34.89 | NumAromaticRings: | 2 |
