Glycoside
GD158186
Name:
2-{6-[(2,2-diphenylethyl)amino]-2-({[1-(propan-2-yl)piperidin-4-yl]amino}methyl)-9H-purin-9-yl}-5-(methoxymethyl)oxolane-3,4-diolFormula:
C34H45O4N7Smiles:
COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CNC4CCN(C(C)C)CC4)nc32)C(O)C1OAglycone:
CC(C)N1CCC(NCc2nc3c(c(NCC(c4ccccc4)c4ccccc4)n2)N=C[N]3)CC1Sugarmoiety:
COCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 615.78 | Num_heavy_atoms: | 45 |
| TPSA: | 129.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD62466
Formula: C28H34N7
Smiles:
CC(C)N1CCC(NCc2nc3c(c(NCC(c4ccccc4)c4ccccc4)n2)N=C[N]3)CC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 468.63 | Num_heavy_atoms: | 35 |
| TPSA: | 79.54 | NumAromaticRings: | 3 |
