Glycoside
GD142689
Name:
NoneFormula:
C32H47O12N2Smiles:
C[NH2+]COC1C(OC2OC=C(C(=O)OC)C(C=CC3=CC(C(=O)O)=CN(CCO)C3)C2C=C2CCCCC2)OC(CO)C(O)C1OAglycone:
COC(=O)C1=COC(O)C(C=C2CCCCC2)C1C=CC1=CC(C(=O)O)=CN(CCO)C1Sugarmoiety:
C[NH2+]COC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 13 |
| MolWt: | 651.73 | Num_heavy_atoms: | 46 |
| TPSA: | 201.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD57417
Formula: C24H31O7N
Smiles:
COC(=O)C1=COC(O)C(C=C2CCCCC2)C1C=CC1=CC(C(=O)O)=CN(CCO)C1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 445.51 | Num_heavy_atoms: | 32 |
| TPSA: | 116.53 | NumAromaticRings: | 0 |
