Glycoside
GD028351
Name:
NoneFormula:
C24H29O8N9SSmiles:
C[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(C)N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 603.62 | Num_heavy_atoms: | 42 |
| 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 |
AD18539
Formula: C15H20O5N4S
Smiles:
COS(=O)(=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(C)N| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 368.42 | Num_heavy_atoms: | 25 |
| TPSA: | 143.38 | NumAromaticRings: | 2 |
