Glycoside
GD030874
Name:
NoneFormula:
C36H50O8N16Smiles:
CN(CC[C@H](N)C(=O)NCC#CC#CCNC(=O)[C@H](N)CCN(C)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C)CCC(N)C(=O)NCC#CC#CCNC(=O)C(N)CCN(C)C.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.56 |
| AlogP: | -5.39 | Num_rotatable_bonds: | 16 |
| MolWt: | 834.9 | Num_heavy_atoms: | 60 |
| TPSA: | 355.34 | 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 |
AD19960
Formula: C18H32O2N6
Smiles:
CN(C)CCC(N)C(=O)NCC#CC#CCNC(=O)C(N)CCN(C)C| HBA: | 8 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 364.49 | Num_heavy_atoms: | 26 |
| TPSA: | 116.72 | NumAromaticRings: | 0 |
