Glycoside
GD037082
Name:
NoneFormula:
C28H38O3N8Smiles:
C[C@H](NC1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.67 | Num_heavy_atoms: | 39 |
| TPSA: | 160.02 | 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 |
AD23384
Formula: C19H29N3
Smiles:
CCNC1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 299.46 | Num_heavy_atoms: | 22 |
| TPSA: | 40.71 | NumAromaticRings: | 2 |
