Glycoside
GD027252
Name:
NoneFormula:
C26H31O8N9SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 629.66 | Num_heavy_atoms: | 44 |
| TPSA: | 248.7 | 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 |
AD17929
Formula: C17H22O5N4S
Smiles:
COS(=O)(=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.45 | Num_heavy_atoms: | 27 |
| TPSA: | 129.39 | NumAromaticRings: | 2 |
