Glycoside
GD001007
Name:
NoneFormula:
C31H59O12N3P2SSmiles:
CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)OCAglycone:
CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 29 |
| MolWt: | 759.84 | Num_heavy_atoms: | 49 |
| TPSA: | 222.12 | NumAromaticRings: | 1 |
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 |
AD01048
Formula: C23H50O8P2S
Smiles:
CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC)OC| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 7.88 | Num_rotatable_bonds: | 26 |
| MolWt: | 548.66 | Num_heavy_atoms: | 34 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
