Glycoside
GD037845
Name:
5'-o-{[5-(7-hydroxy-3-oxo-3h-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosineFormula:
C27H27O10N7SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCc2cc3nc4ccc(O)cc4oc-3cc2=O)[C@@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CCCCc1cc2nc3ccc(O)cc3oc-2cc1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 641.62 | Num_heavy_atoms: | 45 |
| TPSA: | 255.11 | NumAromaticRings: | 3 |
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 |
AD23756
Formula: C18H18O7N2S
Smiles:
COS(=O)(=O)NC(=O)CCCCc1cc2nc3ccc(O)cc3oc-2cc1=O| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.42 | Num_heavy_atoms: | 28 |
| TPSA: | 135.8 | NumAromaticRings: | 1 |
