Glycoside
GD030486
Name:
NoneFormula:
C25H33O14N5Smiles:
C=CCn1c(=O)n(C2OC(COC(=O)COC)[C@H](OC(=O)COC)[C@H]2OC(=O)COC)c2nc(NC(=O)COC)nc(O)c21Aglycone:
C=CCn1c(=O)[nH]c2nc(NC(=O)COC)nc(O)c21.COCC(=O)O.COCC(=O)O.COCC(=O)OCSugarmoiety:
OCC1OC(O)OC1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 16 |
| MolWt: | 627.56 | Num_heavy_atoms: | 44 |
| TPSA: | 227.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD08121
Formula: C3H6O3
Smiles:
COCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD19728
Formula: C11H13O4N5
Smiles:
C=CCn1c(=O)[nH]c2nc(NC(=O)COC)nc(O)c21| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 279.26 | Num_heavy_atoms: | 20 |
| TPSA: | 122.13 | NumAromaticRings: | 2 |
AD19729
Formula: C4H8O3
Smiles:
COCC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 35.53 | NumAromaticRings: | 0 |
