Glycoside
GD101980
Name:
NoneFormula:
C22H30O5N6Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c(=N)nc21Aglycone:
N=c1nc2c(c(N)n1C(=O)C13CC4CC(CC(C4)C1)C3)N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.52 | Num_heavy_atoms: | 33 |
| TPSA: | 161.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD43180
Formula: C16H19ON6
Smiles:
N=c1nc2c(c(N)n1C(=O)C13CC4CC(CC(C4)C1)C3)N=C[N]2| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 311.37 | Num_heavy_atoms: | 23 |
| TPSA: | 111.22 | NumAromaticRings: | 1 |
