Glycoside
GD022163
Name:
NoneFormula:
C17H19O4N9SSmiles:
Nc1nc(O)c2cc(CSC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)[nH]c2n1Aglycone:
CSCc1cc2c(O)nc(N)nc2[nH]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 445.47 | Num_heavy_atoms: | 31 |
| TPSA: | 207.13 | 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 |
AD15062
Formula: C8H10ON4S
Smiles:
CSCc1cc2c(O)nc(N)nc2[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.26 | Num_heavy_atoms: | 14 |
| TPSA: | 87.82 | NumAromaticRings: | 2 |
