Glycoside
GD010338
Name:
NoneFormula:
C27H36O8N10SSmiles:
NCCCC[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 14 |
| MolWt: | 660.71 | Num_heavy_atoms: | 46 |
| TPSA: | 288.71 | 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 |
AD08001
Formula: C18H27O5N5S
Smiles:
COS(=O)(=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCCCN| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 425.51 | Num_heavy_atoms: | 29 |
| TPSA: | 169.4 | NumAromaticRings: | 2 |
