Glycoside
GD120716
Name:
NoneFormula:
C40H45O19N3Smiles:
CCC1=CC(C2C=C(NC)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C3O)=CNC1NAglycone:
CCC1=CC(C2C=C(NC)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CNC1NSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.42 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 871.8 | Num_heavy_atoms: | 62 |
| TPSA: | 373.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD48524
Formula: C34H37O13N3
Smiles:
CCC1=CC(C2C=C(NC)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CNC1N| HBA: | 16 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.35 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 695.68 | Num_heavy_atoms: | 50 |
| TPSA: | 277.66 | NumAromaticRings: | 3 |
