Glycoside
GD153807
Name:
NoneFormula:
C35H38O18N2Smiles:
CCC1=CC(Cc2c(OC3OC(C(=O)OC4OC(C(=O)O)C(O)C(O)C4O)C(O)C(O)C3O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)=CNC1NAglycone:
CCC1=CC(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)=CNC1NSugarmoiety:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.4 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 774.69 | Num_heavy_atoms: | 55 |
| TPSA: | 341.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD61141
Formula: C23H22O6N2
Smiles:
CCC1=CC(Cc2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)=CNC1N| HBA: | 8 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.17 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.44 | Num_heavy_atoms: | 31 |
| TPSA: | 149.18 | NumAromaticRings: | 3 |
