Glycoside
GD028075
Name:
NoneFormula:
C28H32O8N8SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 640.68 | Num_heavy_atoms: | 45 |
| TPSA: | 246.9 | 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 |
AD18381
Formula: C19H23O5N3S
Smiles:
COS(=O)(=O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 405.48 | Num_heavy_atoms: | 28 |
| TPSA: | 127.59 | NumAromaticRings: | 2 |
