Glycoside
GD005570
Name:
NoneFormula:
C42H30O9N2Smiles:
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2C2OC(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)cc1Aglycone:
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 7.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 706.71 | Num_heavy_atoms: | 53 |
| TPSA: | 147.06 | NumAromaticRings: | 6 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD04717
Formula: C17H12O2N2
Smiles:
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 276.3 | Num_heavy_atoms: | 21 |
| TPSA: | 69.79 | NumAromaticRings: | 3 |
