Glycoside
GD030014
Name:
NoneFormula:
C24H33O17N10P3SSmiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(S)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3O)[C@@H]3OC(C)(C)O[C@H]32)c2nc(N)nc(O)c21Aglycone:
COP(=O)(O)OP(=O)(S)OP(=O)([O-])OCC1OC(n2c[n+](C)c3c(O)nc(N)nc32)C2OC(C)(C)OC12.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 12 |
| MolWt: | 858.57 | Num_heavy_atoms: | 55 |
| TPSA: | 379.23 | 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 |
AD19457
Formula: C15H24O13N5P3S
Smiles:
COP(=O)(O)OP(=O)(S)OP(=O)([O-])OCC1OC(n2c[n+](C)c3c(O)nc(N)nc32)C2OC(C)(C)OC12| HBA: | 18 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 607.37 | Num_heavy_atoms: | 37 |
| TPSA: | 239.95 | NumAromaticRings: | 2 |
