Glycoside
GD039531
Name:
(n6,n6)-methyl,benzyl-c2-chloro-(alpha,beta)-methylene-adpFormula:
C20H24O9N5P2ClSmiles:
CN(Cc1ccccc1)c1nc(Cl)nc2c1ncn2[C@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
CN(Cc1ccccc1)c1nc(Cl)nc2c1N=C[N]2.COP(=O)(O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 563.83 | Num_heavy_atoms: | 36 |
| TPSA: | 200.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD22300
Formula: C14H11N5Cl
Smiles:
CN(Cc1ccccc1)c1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.72 | Num_heavy_atoms: | 19 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
