Glycoside
GD001968
Name:
NoneFormula:
C27H27O7N7SSmiles:
COC(=Cc1ccc(O)cc1)C(=O)O[C@@H]1[C@H](OC(=O)C=Cc2c[nH]cn2)[C@H](CSC)O[C@H]1n1cnc2c(N)ncnc21Aglycone:
COC(=Cc1ccc(O)cc1)C(=O)O.Nc1ncnc2c1N=C[N]2.O=C(O)C=Cc1c[nH]cn1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 593.62 | Num_heavy_atoms: | 42 |
| TPSA: | 189.59 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01915
Formula: C10H10O4
Smiles:
COC(=Cc1ccc(O)cc1)C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD01916
Formula: C6H6O2N2
Smiles:
O=C(O)C=Cc1c[nH]cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
