Glycoside
GD110524
Name:
NoneFormula:
C31H27O8N5Smiles:
CO[C@H]1O[C@H](Cn2nnc(C#N)c2N)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1Aglycone:
Cn1nnc(C#N)c1N.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 597.58 | Num_heavy_atoms: | 44 |
| TPSA: | 177.88 | NumAromaticRings: | 4 |
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 |
AD44650
Formula: C4H5N5
Smiles:
Cn1nnc(C#N)c1N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 123.12 | Num_heavy_atoms: | 9 |
| TPSA: | 80.52 | NumAromaticRings: | 1 |
