Glycoside
GD038824
Name:
[[(2r,3s,4s)-5-[(4as,10as)-4a-[(1s)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphateFormula:
C43H52O15N10P2Smiles:
Cc1cc2c(cc1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)[C@H]1NC(=O)NC(=O)[C@]1([C@H](CC(=N)Cc1ccccc1)c1ccccc1)N2Aglycone:
COP(=O)(O)O[PH](=O)O.Cc1cc2c(cc1C)N(C)C1NC(=O)NC(=O)C1(C(CC(=N)Cc1ccccc1)c1ccccc1)N2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.4 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 19 |
| MolWt: | 1010.89 | Num_heavy_atoms: | 70 |
| TPSA: | 379.61 | 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 |
AD24154
Formula: C29H31O2N5
Smiles:
Cc1cc2c(cc1C)N(C)C1NC(=O)NC(=O)C1(C(CC(=N)Cc1ccccc1)c1ccccc1)N2| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 481.6 | Num_heavy_atoms: | 36 |
| TPSA: | 97.32 | NumAromaticRings: | 3 |
