Glycoside
GD125266
Name:
NoneFormula:
C35H36O19N2Smiles:
NC1C=CC(C2CCC3(Oc4cc5oc(-c6ccc(O)c(O)c6)cc(=O)c5c(O)c42)OC(C(=O)OC2OC(C(=O)O)C(O)(O)C(O)C2O)C(O)C(O)C3O)=CN1Aglycone:
NC1C=CC(C2CCC3(Oc4cc5oc(-c6ccc(O)c(O)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CN1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.4 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 788.67 | Num_heavy_atoms: | 56 |
| TPSA: | 361.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD50655
Formula: C29H28O12N2
Smiles:
NC1C=CC(C2CCC3(Oc4cc5oc(-c6ccc(O)c(O)c6)cc(=O)c5c(O)c42)OC(C(=O)O)C(O)C(O)C3O)=CN1| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.31 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 596.55 | Num_heavy_atoms: | 43 |
| TPSA: | 245.4 | NumAromaticRings: | 3 |
