Glycoside
GD138980
Name:
NoneFormula:
C27H39O13N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC[NH2+]C)OC=C(C(=O)OC)C1C=CC1=CC(C(=O)O)=CN(CCO)C1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=CC(C(=O)O)=CN(CCO)C1Sugarmoiety:
C[NH2+]COC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 13 |
| MolWt: | 599.61 | Num_heavy_atoms: | 42 |
| TPSA: | 221.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD47159
Formula: C19H23O7N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=CC1=CC(C(=O)O)=CN(CCO)C1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 377.39 | Num_heavy_atoms: | 27 |
| TPSA: | 116.53 | NumAromaticRings: | 0 |
