Glycoside
GD156694
Name:
NoneFormula:
C33H48O14NSmiles:
O=C(O)C1=C[NH+](CCO)CC(C=CC2C(C(=O)OCCC(O)CO)=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C2CCCCC2)=C1Aglycone:
O=C(O)C1=C[NH+](CCO)CC(C=CC2C(C(=O)OCCC(O)CO)=COC(O)C2C=C2CCCCC2)=C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 14 |
| MolWt: | 682.74 | Num_heavy_atoms: | 48 |
| TPSA: | 237.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD62019
Formula: C27H38O9N
Smiles:
O=C(O)C1=C[NH+](CCO)CC(C=CC2C(C(=O)OCCC(O)CO)=COC(O)C2C=C2CCCCC2)=C1| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 520.6 | Num_heavy_atoms: | 37 |
| TPSA: | 158.19 | NumAromaticRings: | 0 |
