Glycoside

GD005385
Name:
NoneFormula:
C24H33O16N10P4ClS2Smiles:
CNc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(NC)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CNc1ncnc2c1N=C[N]2.CNc1ncnc2c1N=C[N]2.COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OCSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 26 | RingCount: | 6 |
HBD: | 8 | FractionCSP3: | 0.57 |
AlogP: | 1.02 | Num_rotatable_bonds: | 16 |
MolWt: | 929.05 | Num_heavy_atoms: | 56 |
TPSA: | 356.3 | NumAromaticRings: | 4 |
Unique Aglycone
AD02186
Formula: C6H6N5
Smiles:
CNc1ncnc2c1N=C[N]2HBA: | 5 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.17 |
AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
MolWt: | 148.15 | Num_heavy_atoms: | 11 |
TPSA: | 64.27 | NumAromaticRings: | 1 |
AD03334
Formula: C4H11O10P4ClS2
Smiles:
COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OCHBA: | 10 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 1.0 |
AlogP: | 3.28 | Num_rotatable_bonds: | 8 |
MolWt: | 430.59 | Num_heavy_atoms: | 20 |
TPSA: | 145.66 | NumAromaticRings: | 0 |