Glycoside
GD033877
Name:
NoneFormula:
C37H46O18N8FP3SSmiles:
C[C@H](C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OP(=O)(O)O)c1ccc2oc(-c3ccc(F)cc3)nc2c1Aglycone:
COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)c1ccc2oc(-c3ccc(F)cc3)nc2c1.Nc1ncnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.43 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 22 |
| MolWt: | 1034.8 | Num_heavy_atoms: | 68 |
| TPSA: | 389.66 | NumAromaticRings: | 5 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD21596
Formula: C28H36O12N3FP2S
Smiles:
COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)c1ccc2oc(-c3ccc(F)cc3)nc2c1| HBA: | 15 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 17 |
| MolWt: | 719.62 | Num_heavy_atoms: | 47 |
| TPSA: | 223.82 | NumAromaticRings: | 3 |
