Glycoside
GD000743
Name:
NoneFormula:
C28H27O6N4ClSmiles:
O=C(O)c1cn(C[C@@H]2O[C@H](n3cc(Cc4ccc(C5CC5)cc4)c4c(Cl)cccc43)[C@H](O)[C@H](O)[C@H]2O)nn1Aglycone:
Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12.Cn1cc(C(=O)O)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 538.99 | Num_heavy_atoms: | 38 |
| TPSA: | 142.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD00150
Formula: C19H16NCl
Smiles:
Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.79 | Num_heavy_atoms: | 20 |
| TPSA: | 15.79 | NumAromaticRings: | 3 |
AD00792
Formula: C4H5O2N3
Smiles:
Cn1cc(C(=O)O)nn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.1 | Num_heavy_atoms: | 9 |
| TPSA: | 68.01 | NumAromaticRings: | 1 |
