Glycoside
GD028510
Name:
NoneFormula:
C27H36O9N12SSmiles:
CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NCCN1CC[C@H](S(=O)(=O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)C[C@H]1C(=O)OAglycone:
CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NCCN1CCC(S(C)(=O)=O)CC1C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 704.73 | Num_heavy_atoms: | 49 |
| TPSA: | 319.25 | 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 |
AD18617
Formula: C18H27O6N7S
Smiles:
CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NCCN1CCC(S(C)(=O)=O)CC1C(=O)O| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.52 | Num_heavy_atoms: | 32 |
| TPSA: | 199.94 | NumAromaticRings: | 1 |
