Glycoside
GD002365
Name:
NoneFormula:
C28H33O8N9Smiles:
COc1c(C)c2c(c(O)c1CC=C(C)CNCn1cc(OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)nn1)C(=O)OC2Aglycone:
COc1cn(CNCC(C)=CCc2c(O)c3c(c(C)c2OC)COC3=O)nn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 623.63 | Num_heavy_atoms: | 45 |
| TPSA: | 227.04 | 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 |
AD02263
Formula: C19H24O5N4
Smiles:
COc1cn(CNCC(C)=CCc2c(O)c3c(c(C)c2OC)COC3=O)nn1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 107.73 | NumAromaticRings: | 2 |
