Glycoside
GD120506
Name:
NoneFormula:
C37H55O14N2Smiles:
C[NH2+]COC1C(OC2OC=C(C(=O)OC3CCCCC3)C(O)(C=CC3=CC(C(=O)O)=CN(CCO)C3)C2C=C2CCCCC2)OC(CO)C(O)C1(O)OAglycone:
O=C(O)C1=CN(CCO)CC(C=CC2(O)C(C(=O)OC3CCCCC3)=COC(O)C2C=C2CCCCC2)=C1Sugarmoiety:
C[NH2+]COC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.68 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 14 |
| MolWt: | 751.85 | Num_heavy_atoms: | 53 |
| TPSA: | 241.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD48422
Formula: C29H39O8N
Smiles:
O=C(O)C1=CN(CCO)CC(C=CC2(O)C(C(=O)OC3CCCCC3)=COC(O)C2C=C2CCCCC2)=C1| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 529.63 | Num_heavy_atoms: | 38 |
| TPSA: | 136.76 | NumAromaticRings: | 0 |
