Glycoside
GD020668
Name:
NoneFormula:
C29H38O15N8P2Smiles:
CCCCCc1ccc(-c2cn(C[C@@H]3O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]4O[C@H](n5cnc6c(=O)[nH]c(N)nc65)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
CCCCCc1ccc(-c2cn(C)nn2)cc1.COP(=O)([O-])OP(=O)([O-])O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OOC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 15 |
| MolWt: | 800.61 | Num_heavy_atoms: | 54 |
| TPSA: | 347.86 | NumAromaticRings: | 4 |
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 |
AD00984
Formula: CH4O7P2
Smiles:
COP(=O)([O-])OP(=O)([O-])O| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 189.98 | Num_heavy_atoms: | 10 |
| TPSA: | 118.95 | NumAromaticRings: | 0 |
AD03756
Formula: C14H19N3
Smiles:
CCCCCc1ccc(-c2cn(C)nn2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.43 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 229.33 | Num_heavy_atoms: | 17 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
