Glycoside
GD146352
Name:
methyl 4-(3-{6-amino-9-[5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-9H-purin-2-yl}prop-2-yn-1-yl)piperidine-1-carboxylateFormula:
C23H29O6N7Smiles:
COC(=O)N1CCC(CC#Cc2nc(N)c3ncn(C4OC(C(O)=NC5CC5)C(O)C4O)c3n2)CC1Aglycone:
COC(=O)N1CCC(CC#Cc2nc(N)c3c(n2)[N]C=N3)CC1.OC=NC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 499.53 | Num_heavy_atoms: | 36 |
| TPSA: | 181.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD11459
Formula: C15H17O2N6
Smiles:
COC(=O)N1CCC(CC#Cc2nc(N)c3c(n2)[N]C=N3)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 313.34 | Num_heavy_atoms: | 23 |
| TPSA: | 107.8 | NumAromaticRings: | 1 |
AD54903
Formula: C4H7ON
Smiles:
OC=NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
