Glycoside
GD153799
Name:
NoneFormula:
C28H40O15NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2O)OC=C(C(=O)OCCC(O)CO)C1C=CC1=CC(C(=O)O)=C[NH+](CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OCCC(O)CO)C1C=CC1=CC(C(=O)O)=C[NH+](CCO)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -4.59 | Num_rotatable_bonds: | 14 |
| MolWt: | 630.62 | Num_heavy_atoms: | 44 |
| TPSA: | 257.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD48205
Formula: C22H30O9N
Smiles:
C=CC1C(O)OC=C(C(=O)OCCC(O)CO)C1C=CC1=CC(C(=O)O)=C[NH+](CCO)C1| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 11 |
| MolWt: | 452.48 | Num_heavy_atoms: | 32 |
| TPSA: | 158.19 | NumAromaticRings: | 0 |
