Glycoside
GD123718
Name:
{[5-(6-amino-5,9-dihydro-4H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl)oxy](hydroxy)phosphoryl}oxy)phosphinic acidFormula:
C27H35O15N9P2Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC5C(=N)N=CNC54)C(O)C3O)c2cc1CAglycone:
COP(=O)(O)O[PH](=O)O.Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1C.N=C1N=CNC2NC=NC12Sugarmoiety:
OC(O)C(O)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 13 |
| MolWt: | 787.57 | Num_heavy_atoms: | 53 |
| TPSA: | 357.41 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD45324
Formula: C13H12O2N4
Smiles:
Cc1cc2nc3c(O)nc(=O)nc-3n(C)c2cc1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 80.9 | NumAromaticRings: | 1 |
AD49949
Formula: C5H7N5
Smiles:
N=C1N=CNC2NC=NC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.15 | Num_heavy_atoms: | 10 |
| TPSA: | 72.63 | NumAromaticRings: | 0 |
