Glycoside
GD152143
Name:
NoneFormula:
C29H43O14N4Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2O)OC=C(C(=O)OC)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCOAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCOSugarmoiety:
OCC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -5.28 | Num_rotatable_bonds: | 14 |
| MolWt: | 671.68 | Num_heavy_atoms: | 47 |
| TPSA: | 285.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD49088
Formula: C23H33O8N4
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=CN(CCO)CC(C(=O)O)=C1NC(=[NH2+])NCCCO| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 493.54 | Num_heavy_atoms: | 35 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
