Glycoside
GD020368
Name:
NoneFormula:
C26H32O14N10P2Smiles:
COC1=C(OC)C(=CCOP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2OP(=O)(O)COCCn2cnc3ncnc(N)c32)OC1=OAglycone:
COC1=C(OC)C(=CCOP(=O)(O)OC)OC1=O.Nc1ncnc2c1N=C[N]2.Nc1ncnc2ncn(CCOCP(=O)(O)O)c12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 16 |
| MolWt: | 770.55 | Num_heavy_atoms: | 52 |
| TPSA: | 324.98 | NumAromaticRings: | 4 |
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 |
AD14073
Formula: C9H13O8P
Smiles:
COC1=C(OC)C(=CCOP(=O)(O)OC)OC1=O| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 280.17 | Num_heavy_atoms: | 18 |
| TPSA: | 100.52 | NumAromaticRings: | 0 |
AD14074
Formula: C8H12O4N5P
Smiles:
Nc1ncnc2ncn(CCOCP(=O)(O)O)c12| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 273.19 | Num_heavy_atoms: | 18 |
| TPSA: | 136.38 | NumAromaticRings: | 2 |
