Glycoside
GD001267
Name:
NoneFormula:
C33H46O25N15P5Smiles:
Cc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@H](COP(=O)(O)O[C@@H]5[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]5n5cnc6c(N)nc(C)nc65)O[C@H]4n4cnc5c(N)nc(C)nc54)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Cc1nc(N)c2c(n1)[N]C=N2.Cc1nc(N)c2c(n1)[N]C=N2.Cc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 40 | RingCount: | 9 |
| HBD: | 16 | FractionCSP3: | 0.55 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 20 |
| MolWt: | 1207.68 | Num_heavy_atoms: | 78 |
| TPSA: | 588.81 | NumAromaticRings: | 6 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD01302
Formula: C6H6N5
Smiles:
Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
