Glycoside
GD016338
Name:
NoneFormula:
C34H57O17N7P3SSmiles:
C=C(CCCCCCCCC)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])OAglycone:
C=C(CCCCCCCCC)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2.O=P([O-])(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 29 |
| MolWt: | 960.85 | Num_heavy_atoms: | 62 |
| TPSA: | 366.46 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD00190
Formula: H2O4P
Smiles:
O=P([O-])(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.99 | Num_heavy_atoms: | 5 |
| TPSA: | 80.59 | NumAromaticRings: | 0 |
AD11783
Formula: C25H48O11N2P2S
Smiles:
C=C(CCCCCCCCC)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC| HBA: | 13 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 24 |
| MolWt: | 646.68 | Num_heavy_atoms: | 41 |
| TPSA: | 197.79 | NumAromaticRings: | 0 |
