Glycoside
GD016520
Name:
NoneFormula:
C25H39O22N10P5SSmiles:
CCC[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1OC(n2c(SCC)nc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC.CCSC1=Nc2c(N)ncnc2[N]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.6 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 20 |
| MolWt: | 1018.57 | Num_heavy_atoms: | 63 |
| TPSA: | 480.5 | 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 |
AD03746
Formula: C7H8N5S
Smiles:
CCSC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.24 | Num_heavy_atoms: | 13 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD11881
Formula: C5H17O16P5
Smiles:
CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 16 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 488.05 | Num_heavy_atoms: | 26 |
| TPSA: | 241.88 | NumAromaticRings: | 0 |
