Glycoside
GD010071
Name:
NoneFormula:
C23H31O13N5P2SSmiles:
CN(C)c1cccc2c(S(=O)(=O)NCCOP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4ccc(N)nc4=O)[C@H](O)[C@H]3O)cccc12Aglycone:
COP(=O)(O)OP(=O)(O)OCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 13 |
| MolWt: | 679.54 | Num_heavy_atoms: | 44 |
| TPSA: | 262.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD07822
Formula: C15H22O9N2P2S
Smiles:
COP(=O)(O)OP(=O)(O)OCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 468.36 | Num_heavy_atoms: | 29 |
| TPSA: | 151.7 | NumAromaticRings: | 2 |
