Glycoside
GD028981
Name:
NoneFormula:
C31H59O13N3P2Smiles:
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)OCAglycone:
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OP(=O)(O)OC)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 29 |
| MolWt: | 743.77 | Num_heavy_atoms: | 49 |
| TPSA: | 231.35 | 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 |
AD18891
Formula: C23H50O9P2
Smiles:
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OP(=O)(O)OC)OC| HBA: | 9 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 7.16 | Num_rotatable_bonds: | 26 |
| MolWt: | 532.59 | Num_heavy_atoms: | 34 |
| TPSA: | 120.75 | NumAromaticRings: | 0 |
