Glycoside
GD105120
Name:
NoneFormula:
C25H22O7N2Smiles:
Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccncc2)cc1Aglycone:
Cc1ccc(C=O)cc1.Cc1ccc(C=O)cc1.Nc1ccncc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.16 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.46 | Num_heavy_atoms: | 34 |
| TPSA: | 131.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD01408
Formula: C8H8O
Smiles:
Cc1ccc(C=O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD40393
Formula: C5H6N2
Smiles:
Nc1ccncc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.12 | Num_heavy_atoms: | 7 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
