Glycoside
GD002944
Name:
NoneFormula:
C22H32O17N11P3Smiles:
CO[C@@H]1[C@H](O)[C@H](COP(=O)([O-])OP(=O)(O)NP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@H]2O)O[C@H]1n1c[n+](C)c2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)(O)NP(=O)(O)OP(=O)([O-])OC.C[N+]1=C[N]c2nc(N)[nH]c(=O)c21.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -4.95 | Num_rotatable_bonds: | 13 |
| MolWt: | 815.48 | Num_heavy_atoms: | 53 |
| TPSA: | 413.0 | 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 |
AD02176
Formula: C6H7ON5
Smiles:
C[N+]1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.16 | Num_heavy_atoms: | 12 |
| TPSA: | 88.88 | NumAromaticRings: | 1 |
AD02741
Formula: C2H9O9NP3
Smiles:
COP(=O)(O)NP(=O)(O)OP(=O)([O-])OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 284.01 | Num_heavy_atoms: | 15 |
| TPSA: | 154.45 | NumAromaticRings: | 0 |
