Glycoside
GD015750
Name:
APADENOSONFormula:
C23H30O6N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(C#CC[C@H]4CC[C@@H](C(=O)OC)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COC(=O)C1CCC(CC#Cc2nc(N)c3c(n2)[N]C=N3)CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.53 | Num_heavy_atoms: | 35 |
| TPSA: | 174.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD11409
Formula: C16H18O2N5
Smiles:
COC(=O)C1CCC(CC#Cc2nc(N)c3c(n2)[N]C=N3)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.35 | Num_heavy_atoms: | 23 |
| TPSA: | 104.56 | NumAromaticRings: | 1 |
