Glycoside
GD125913
Name:
NoneFormula:
C32H47O13N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2O)OC=C(C(=O)OC2CCCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCAglycone:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCSugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -3.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 695.74 | Num_heavy_atoms: | 49 |
| TPSA: | 265.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD50923
Formula: C26H37O7N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CCCCC2)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NC| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 517.6 | Num_heavy_atoms: | 37 |
| TPSA: | 166.18 | NumAromaticRings: | 0 |
