Glycoside
GD036763
Name:
NoneFormula:
C46H47O16N7P2Smiles:
O=C(NCCCCCCNC(=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(NCCCCCCNC(=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: | 23 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.3 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 18 |
| MolWt: | 1015.86 | Num_heavy_atoms: | 71 |
| TPSA: | 343.57 | 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 |
AD23187
Formula: C40H34O7N7
Smiles:
O=C(NCCCCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 14 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 724.75 | Num_heavy_atoms: | 54 |
| TPSA: | 198.46 | NumAromaticRings: | 5 |
