Glycoside
GD004704
Name:
NoneFormula:
C36H61O10N6PSmiles:
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(CO)C(OP(=O)(O)OCC3CCC(n4ccc(N)nc4=O)O3)C2O)c(=O)n1Aglycone:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1.Nc1ccn(C2CCC(COP(=O)(O)O)O2)c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 26 |
| MolWt: | 768.89 | Num_heavy_atoms: | 53 |
| TPSA: | 222.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD02079
Formula: C22H41ON3
Smiles:
CCCCCCCCCCCCCCCCCCNc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 6.44 | Num_rotatable_bonds: | 18 |
| MolWt: | 363.59 | Num_heavy_atoms: | 26 |
| TPSA: | 57.78 | NumAromaticRings: | 1 |
AD04071
Formula: C9H14O6N3P
Smiles:
Nc1ccn(C2CCC(COP(=O)(O)O)O2)c(=O)n1| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 291.2 | Num_heavy_atoms: | 19 |
| TPSA: | 136.9 | NumAromaticRings: | 1 |
