Glycoside

GD003719
Name:
NoneFormula:
C24H27O16N10P4Cl3S2Smiles:
Nc1nc(Cl)nc2c1ncn2[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(N)nc(Cl)nc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC.Nc1nc(Cl)nc2c1N=C[N]2.Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 26 | RingCount: | 6 |
HBD: | 10 | FractionCSP3: | 0.52 |
AlogP: | 1.41 | Num_rotatable_bonds: | 14 |
MolWt: | 969.89 | Num_heavy_atoms: | 56 |
TPSA: | 384.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD00532
Formula: C6H3N5Cl
Smiles:
Nc1nc(Cl)nc2c1N=C[N]2HBA: | 5 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
MolWt: | 168.57 | Num_heavy_atoms: | 11 |
TPSA: | 78.26 | 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 |