Glycoside
GD145703
Name:
NoneFormula:
C32H47O14N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC[NH2+]C)OC=C(C(=O)OC2CCCCC2)C1(O)C=CC1=CC(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)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: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 14 |
| MolWt: | 683.73 | Num_heavy_atoms: | 48 |
| TPSA: | 241.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD58467
Formula: C24H31O8N
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1(O)C=CC1=CC(C(=O)O)=CN(CCO)C1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 461.51 | Num_heavy_atoms: | 33 |
| TPSA: | 136.76 | NumAromaticRings: | 0 |
