Glycoside
GD020042
Name:
NoneFormula:
C26H33O8N9S2Smiles:
CSCC[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)CCSC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 13 |
| MolWt: | 663.74 | Num_heavy_atoms: | 45 |
| TPSA: | 262.69 | 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 |
AD13898
Formula: C17H24O5N4S2
Smiles:
COS(=O)(=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCSC| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 428.54 | Num_heavy_atoms: | 28 |
| TPSA: | 143.38 | NumAromaticRings: | 2 |
