Glycoside
GD017166
Name:
NoneFormula:
C44H83O13N3P2SSmiles:
CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCCCCCCCCC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 10.3 | Num_rotatable_bonds: | 41 |
| MolWt: | 956.17 | Num_heavy_atoms: | 63 |
| TPSA: | 239.19 | 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 |
AD12284
Formula: C36H74O9P2S
Smiles:
CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCCCCCCCCC| HBA: | 9 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 12.47 | Num_rotatable_bonds: | 38 |
| MolWt: | 744.99 | Num_heavy_atoms: | 48 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
