Glycoside
GD037366
Name:
NoneFormula:
C25H35O5N13SSmiles:
CC1(C)Nc2nc(N)[nH]c(=O)c2N=C1C(=O)NN1CCN(CCSC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)CC1Aglycone:
CSCCN1CCN(NC(=O)C2=Nc3c(nc(N)[nH]c3=O)NC2(C)C)CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 629.71 | Num_heavy_atoms: | 44 |
| TPSA: | 251.05 | 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 |
AD23544
Formula: C16H26O2N8S
Smiles:
CSCCN1CCN(NC(=O)C2=Nc3c(nc(N)[nH]c3=O)NC2(C)C)CC1| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 394.51 | Num_heavy_atoms: | 27 |
| TPSA: | 131.74 | NumAromaticRings: | 1 |
