Glycoside
GD102057
Name:
NoneFormula:
C24H24O7N3ClSmiles:
O=C(C(=O)N1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 489.91 | Num_heavy_atoms: | 34 |
| TPSA: | 143.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD43203
Formula: C18H16ON3Cl
Smiles:
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 313.79 | Num_heavy_atoms: | 22 |
| TPSA: | 36.86 | NumAromaticRings: | 2 |
