Glycoside
GD012448
Name:
NoneFormula:
C19H27O21N7P4Smiles:
Nc1nc(=O)c2ncn([C@@H]3C[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4O[C@H](n5ccc(=O)[nH]c5=O)[C@H](O)[C@H]4O)O3)c2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(=O)nc(N)[nH]c32)CC1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | -3.0 | Num_rotatable_bonds: | 14 |
| MolWt: | 813.35 | Num_heavy_atoms: | 51 |
| TPSA: | 418.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD09385
Formula: C11H19O16N5P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(=O)nc(N)[nH]c32)CC1O| HBA: | 21 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 11 |
| MolWt: | 601.19 | Num_heavy_atoms: | 36 |
| TPSA: | 314.4 | NumAromaticRings: | 2 |
