Glycoside
GD157596
Name:
6-[(2,2-diphenylethyl)amino]-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-({[1-(pyridin-2-yl)piperidin-4-yl]carbamoyl}amino)ethyl]-9H-purine-2-carboxamideFormula:
C40H47O6N11Smiles:
CCN=C(O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCN=C(O)NC4CCN(c5ccccn5)CC4)nc32)C(O)C1OAglycone:
CCN=CO.O=C(NCCN=C(O)NC1CCN(c2ccccn2)CC1)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 14 |
| MolWt: | 777.89 | Num_heavy_atoms: | 57 |
| TPSA: | 227.76 | NumAromaticRings: | 5 |
Unique Aglycone
AD49188
Formula: C3H7ON
Smiles:
CCN=CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
AD62296
Formula: C33H35O2N10
Smiles:
O=C(NCCN=C(O)NC1CCN(c2ccccn2)CC1)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 603.71 | Num_heavy_atoms: | 45 |
| TPSA: | 154.12 | NumAromaticRings: | 4 |
