Glycoside
GD143042
Name:
NoneFormula:
C32H47O15N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC[NH2+]C)OC=C(C(=O)OC2(O)CCCCC2)C1(O)C=CC1=CC(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2(O)CCCCC2)C1(O)C=CC1=CC(C(=O)O)=CN(CCO)C1Sugarmoiety:
C[NH2+]COC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 14 |
| MolWt: | 699.73 | Num_heavy_atoms: | 49 |
| TPSA: | 261.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD57545
Formula: C24H31O9N
Smiles:
C=CC1C(O)OC=C(C(=O)OC2(O)CCCCC2)C1(O)C=CC1=CC(C(=O)O)=CN(CCO)C1| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 477.51 | Num_heavy_atoms: | 34 |
| TPSA: | 156.99 | NumAromaticRings: | 0 |
