Glycoside
GD029645
Name:
NoneFormula:
C35H49O21N15P4S4Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(S)OCC(COP(=O)(O)S)(COP(=O)(S)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)COP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=O)(S)OCC(COP(=O)(O)S)(COP(=O)(S)OC)COP(=O)(S)OC.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 36 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.57 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 24 |
| MolWt: | 1268.03 | Num_heavy_atoms: | 79 |
| TPSA: | 511.05 | NumAromaticRings: | 6 |
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 |
AD19265
Formula: C8H22O12P4S4
Smiles:
COP(=O)(S)OCC(COP(=O)(O)S)(COP(=O)(S)OC)COP(=O)(S)OC| HBA: | 12 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 15 |
| MolWt: | 562.42 | Num_heavy_atoms: | 28 |
| TPSA: | 153.12 | NumAromaticRings: | 0 |
