Glycoside
GD004236
Name:
NoneFormula:
C29H35O18N10P3Smiles:
C[n+]1c(C=Cc2ccccc2)n([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
COP(=O)([O-])OP(=O)(O)OP(=O)(O)OC.C[N+]1=C(C=Cc2ccccc2)[N]c2nc(N)[nH]c(=O)c21.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 14 |
| MolWt: | 904.57 | Num_heavy_atoms: | 60 |
| TPSA: | 421.2 | NumAromaticRings: | 5 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD01306
Formula: C2H8O10P3
Smiles:
COP(=O)([O-])OP(=O)(O)OP(=O)(O)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 285.0 | Num_heavy_atoms: | 15 |
| TPSA: | 151.65 | NumAromaticRings: | 0 |
AD03728
Formula: C14H13ON5
Smiles:
C[N+]1=C(C=Cc2ccccc2)[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 267.29 | Num_heavy_atoms: | 20 |
| TPSA: | 88.88 | NumAromaticRings: | 2 |
