Glycoside
GD140549
Name:
NoneFormula:
C41H49O20N3Smiles:
CCC1=CC(C2CC(CNC)C3(Oc4cc5oc(-c6cc(O)c(O)c(CCO)c6)cc(=O)c5c(O)c42)OC(C(=O)OC2OC(C(=O)O)C(O)(O)C(O)C2O)C(O)C(O)C3O)=CNC1NAglycone:
CCC1=CC(C2CC(CNC)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)C1(O)OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.49 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 903.84 | Num_heavy_atoms: | 64 |
| TPSA: | 394.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD49989
Formula: C35H41O13N3
Smiles:
CCC1=CC(C2CC(CNC)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: | 0.43 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 711.72 | Num_heavy_atoms: | 51 |
| TPSA: | 277.66 | NumAromaticRings: | 3 |
