Glycoside
GD027068
Name:
NoneFormula:
C46H47O18N7P2Smiles:
O=C(NCCOCCOCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]2O)cc1Aglycone:
COP(=O)(O)CP(=O)(O)O.O=C(NCCOCCOCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.3 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 20 |
| MolWt: | 1047.86 | Num_heavy_atoms: | 73 |
| TPSA: | 362.03 | NumAromaticRings: | 6 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD17815
Formula: C40H34O9N7
Smiles:
O=C(NCCOCCOCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 16 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 14 |
| MolWt: | 756.75 | Num_heavy_atoms: | 56 |
| TPSA: | 216.92 | NumAromaticRings: | 5 |
