Glycoside
GD039083
Name:
(2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-hydroxyphenyl)ethyl]hexanamideFormula:
C31H40O5N8Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](C[C@@H](CC[C@@H](N)C(=O)NCCc2ccc(O)cc2)CNCc2ccccc2)[C@@H](O)[C@H]1OAglycone:
CC(CCC(N)C(=O)NCCc1ccc(O)cc1)CNCc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 14 |
| MolWt: | 604.71 | Num_heavy_atoms: | 44 |
| TPSA: | 206.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD24272
Formula: C22H31O2N3
Smiles:
CC(CCC(N)C(=O)NCCc1ccc(O)cc1)CNCc1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 369.51 | Num_heavy_atoms: | 27 |
| TPSA: | 87.38 | NumAromaticRings: | 2 |
