Glycoside
GD029390
Name:
NoneFormula:
C25H27O7N2ClSmiles:
CCn1c(O)cn(-c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)c1=OAglycone:
CCn1c(O)cn(-c2ccc(Cc3ccccc3Cl)cc2)c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.94 | Num_heavy_atoms: | 34 |
| TPSA: | 137.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD19119
Formula: C19H17O2N2Cl
Smiles:
CCn1c(O)cn(-c2ccc(Cc3ccccc3Cl)cc2)c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.8 | Num_heavy_atoms: | 23 |
| TPSA: | 47.16 | NumAromaticRings: | 3 |
