Glycoside
GD152864
Name:
NoneFormula:
C31H45O14N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC[NH2+]C)OC=C(C(=O)OC2CCCC2)C1(O)C=CC1=CC(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)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: | 0.61 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 14 |
| MolWt: | 669.7 | Num_heavy_atoms: | 47 |
| TPSA: | 241.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD60829
Formula: C23H29O8N
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCC2)C1(O)C=CC1=CC(C(=O)O)=CN(CCO)C1| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 447.48 | Num_heavy_atoms: | 32 |
| TPSA: | 136.76 | NumAromaticRings: | 0 |
