Glycoside
GD009543
Name:
NoneFormula:
C26H22O6N3ClSmiles:
COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](OC=CC(=O)c4ccccc4)[C@H](O)[C@H]3O)c(Cl)c2c1Aglycone:
COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3.O=C(C=CO)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 495.92 | Num_heavy_atoms: | 35 |
| TPSA: | 115.93 | NumAromaticRings: | 4 |
Unique Aglycone
AD02162
Formula: C13H9ON3Cl
Smiles:
COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.68 | Num_heavy_atoms: | 17 |
| TPSA: | 48.58 | NumAromaticRings: | 2 |
AD07474
Formula: C9H8O2
Smiles:
O=C(C=CO)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
