Glycoside
GD038904
Name:
5'-o-[(s)-{[(3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(s)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-o-[(r)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-o-methylguanosineFormula:
C30H47O17N10P3Smiles:
CO[C@@H]1[C@@H](O[P@](=O)(O)OCCCCO)[C@@H](CO[P@](=O)(O)O[C@@H]2CN(Cc3c[nH]c4c(N)ncnc34)C[C@H]2CO[P@](=O)(O)OCCCO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)(O)OC1CN(Cc2c[nH]c3c(N)ncnc23)CC1COP(=O)(O)OCCCO.Nc1nc2c(c(=O)[nH]1)N=C[N]2.O=P(O)(O)OCCCCOSugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.63 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 23 |
| MolWt: | 912.68 | Num_heavy_atoms: | 60 |
| TPSA: | 386.62 | NumAromaticRings: | 4 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD05277
Formula: C16H27O9N5P2
Smiles:
COP(=O)(O)OC1CN(Cc2c[nH]c3c(N)ncnc23)CC1COP(=O)(O)OCCCO| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 495.37 | Num_heavy_atoms: | 32 |
| TPSA: | 202.58 | NumAromaticRings: | 2 |
AD24177
Formula: C4H11O5P
Smiles:
O=P(O)(O)OCCCCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.1 | Num_heavy_atoms: | 10 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
