Glycoside
GD038820
Name:
[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-[(1s)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4ah-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphateFormula:
C42H50O15N10P2Smiles:
Cc1cc2c(cc1C)N([C@@](N)(CCc1ccccc1)c1ccccc1)C1C(=O)NC(=O)N=C1N2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O[PH](=O)O.Cc1cc2c(cc1C)N(C(N)(CCc1ccccc1)c1ccccc1)C1C(=O)NC(=O)N=C1N2C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 18 |
| MolWt: | 996.87 | Num_heavy_atoms: | 69 |
| TPSA: | 373.32 | NumAromaticRings: | 5 |
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 |
AD02733
Formula: CH6O6P2
Smiles:
COP(=O)(O)O[PH](=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.0 | Num_heavy_atoms: | 9 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
AD24151
Formula: C28H29O2N5
Smiles:
Cc1cc2c(cc1C)N(C(N)(CCc1ccccc1)c1ccccc1)C1C(=O)NC(=O)N=C1N2C| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 467.57 | Num_heavy_atoms: | 35 |
| TPSA: | 91.03 | NumAromaticRings: | 3 |
