Glycoside
GD030911
Name:
NoneFormula:
C23H35O22N10P5SSmiles:
CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@H](C)[C@@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CCOP(=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:
COC1OC(O)C(O)C1O.OC1OOC(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.57 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 18 |
| MolWt: | 990.52 | Num_heavy_atoms: | 61 |
| 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 |
AD19980
Formula: C3H13O16P5
Smiles:
CCOP(=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: | 1.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 459.99 | Num_heavy_atoms: | 24 |
| TPSA: | 241.88 | NumAromaticRings: | 0 |
