Glycoside
GD040429
Name:
tricyclic nadphFormula:
C21H30O17N7P3Smiles:
NC(=O)C1=CN2[C@H]3O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]4O[C@H](n5cnc6c(N)ncnc65)[C@@H](OP(=O)(O)O)[C@H]4O)[C@@H](O)[C@H]3O[C@@H]2CC1Aglycone:
COP(=O)(O)OP(=O)(O)OCC1OC2C(OC3CCC(C(N)=O)=CN32)C1O.Nc1ncnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 745.43 | Num_heavy_atoms: | 48 |
| TPSA: | 353.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
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 |
AD24767
Formula: C12H20O11N2P2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1OC2C(OC3CCC(C(N)=O)=CN32)C1O| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.24 | Num_heavy_atoms: | 27 |
| TPSA: | 187.31 | NumAromaticRings: | 0 |
