Glycoside
GD000866
Name:
NoneFormula:
C44H63O16N3P2Smiles:
CCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCCCCCCC)cc2)OP(=O)(O)OC[C@@H]2O[C@H](n3ccnc(C(N)=O)c3=O)[C@H](O)[C@H]2O)cc1Aglycone:
CCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCCCCCCC)cc2)OP(=O)(O)OC)cc1.NC(=O)c1ncc[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 7.73 | Num_rotatable_bonds: | 31 |
| MolWt: | 951.94 | Num_heavy_atoms: | 65 |
| TPSA: | 271.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD00902
Formula: C35H54O11P2
Smiles:
CCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCCCCCCC)cc2)OP(=O)(O)OC)cc1| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 10.38 | Num_rotatable_bonds: | 27 |
| MolWt: | 712.75 | Num_heavy_atoms: | 48 |
| TPSA: | 143.89 | NumAromaticRings: | 2 |
AD00903
Formula: C5H5O2N3
Smiles:
NC(=O)c1ncc[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.11 | Num_heavy_atoms: | 10 |
| TPSA: | 88.84 | NumAromaticRings: | 1 |
