Glycoside
GD018041
Name:
NoneFormula:
C30H52O10N5P2ClSmiles:
CCCCCCCCCCCCCCCCOCC(Cl)CP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCOCC(Cl)CP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 5.45 | Num_rotatable_bonds: | 25 |
| MolWt: | 728.16 | Num_heavy_atoms: | 47 |
| TPSA: | 221.6 | NumAromaticRings: | 2 |
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 |
AD12796
Formula: C21H43O7P2Cl
Smiles:
CCCCCCCCCCCCCCCCOCC(Cl)CP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 7.04 | Num_rotatable_bonds: | 22 |
| MolWt: | 492.96 | Num_heavy_atoms: | 30 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
